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Run parameters Query Molecule

Library screened FDA approved drugs Screening method Combined Date Fri May 29 15:13:33 2020

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Results

DB00396, DB00378, DB00990, DB06710, Score : 0.995 Score : 0.955 Score : 0.718 Score : 0.651

DB00624, DB01420, DB00253, DB00603, Acetat Score : 0.651 Score : 0.617 Score : 0.513 e Score : 0.399

DB00294, DB00741, DB00367, DB00717, Norethindrone Score : 0.398 Score : 0.391 Score : 0.355 Score : 0.355

DB01395, DB09015, Canrenoate DB08804, decanoate DB01185, Score : 0.345 Score : 0.199 Score : 0.182 Score : 0.151

DB00687, DB00896, DB06730, DB01431, Score : 0.117 Score : 0.115 Score : 0.107 Score : 0.105

DB06689, Ethanolamine Oleate DB00959, DB00860, DB00635, Score : 0.105 Score : 0.088 Score : 0.088 Score : 0.088

DB00894, DB00980, Ramelteon DB00421, DB06594, Agomelatine Score : 0.065 Score : 0.057 Score : 0.035 Score : 0.030

DB00202, Succinylcholine DB00461, Nabumetone DB01625, Isopropamide DB00546, Adinazolam Score : 0.029 Score : 0.028 Score : 0.027 Score : 0.026

DB01058, Praziquantel DB04839, acetate DB00351, acetate DB01065, Melatonin Score : 0.025 Score : 0.024 Score : 0.024 Score : 0.023

DB00757, Dolasetron DB00981, Physostigmine DB01166, Cilostazol DB00806, Pentoxifylline Score : 0.022 Score : 0.021 Score : 0.021 Score : 0.021

DB04880, Enoximone DB06209, Prasugrel DB01168, Procarbazine DB00486, Nabilone Score : 0.020 Score : 0.019 Score : 0.018 Score : 0.017

DB06802, Nepafenac DB01127, Econazole DB01153, Sertaconazole DB00208, Ticlopidine Score : 0.017 Score : 0.016 Score : 0.016 Score : 0.016

DB00660, Metaxalone DB00480, Lenalidomide DB01110, DB08811, Tofisopam Score : 0.016 Score : 0.015 Score : 0.015 Score : 0.015

DB01247, Isocarboxazid DB01039, Fenofibrate DB00236, Pipobroman DB00745, Modafinil Score : 0.015 Score : 0.015 Score : 0.015 Score : 0.014

DB06691, Mepyramine DB08824, Ioflupane I 123 DB00370, DB00815, Sodium lauryl sulfate Score : 0.014 Score : 0.014 Score : 0.014 Score : 0.014

DB01351, Amobarbital DB01216, DB08877, Ruxolitinib DB08828, Vismodegib Score : 0.014 Score : 0.013 Score : 0.013 Score : 0.013

DB01394, Colchicine DB06203, Alogliptin DB01122, Ambenonium DB00962, Zaleplon Score : 0.013 Score : 0.013 Score : 0.013 Score : 0.013

DB00418, Secobarbital DB00312, Pentobarbital DB00395, Carisoprodol DB00357, Score : 0.013 Score : 0.013 Score : 0.013 Score : 0.013

DB06738, DB08905, DB00589, Lisuride DB00758, Clopidogrel Score : 0.013 Score : 0.012 Score : 0.012 Score : 0.012

DB01010, Edrophonium DB06751, Drotaverine DB00455, DB01628, Etoricoxib Score : 0.012 Score : 0.012 Score : 0.012 Score : 0.012

DB00791, Uracil mustard DB01113, Papaverine DB00969, Alosetron DB01353, Butethal Score : 0.011 Score : 0.011 Score : 0.011 Score : 0.011

DB00524, DB01041, DB00498, Phenindione DB06201, Rufinamide Score : 0.011 Score : 0.010 Score : 0.010 Score : 0.010

DB01006, DB08943, Isoconazole DB01007, Tioconazole DB00736, Esomeprazole Score : 0.010 Score : 0.010 Score : 0.010 Score : 0.010

DB00338, DB01176, Cyclizine DB06589, Pazopanib DB01085, Pilocarpine Score : 0.010 Score : 0.010 Score : 0.010 Score : 0.010

DB01205, Flumazenil DB00613, Amodiaquine DB00711, Diethylcarbamazine DB01437, Glutethimide Score : 0.010 Score : 0.010 Score : 0.010 Score : 0.010

DB00849, Methylphenobarbital DB00306, Talbutal DB00899, DB00474, Methohexital Score : 0.010 Score : 0.010 Score : 0.010 Score : 0.010

DB01011, DB08873, Boceprevir DB00700, DB00776, Oxcarbazepine Score : 0.010 Score : 0.009 Score : 0.009 Score : 0.009

DB04842, Fluspirilene DB00261, Anagrelide DB01355, Hexobarbital DB00721, Procaine Score : 0.009 Score : 0.009 Score : 0.009 Score : 0.009

DB01161, Chloroprocaine DB01342, Forasartan DB08992, Eperisone DB00808, Score : 0.009 Score : 0.009 Score : 0.009 Score : 0.009

DB00241, Butalbital Score : 0.009

Swiss Institute of Bioinformatics - © 2015

Supplementary figure 5: Swiss Similarity check of FDA approved drugs (drug ID, drug name, similarity score, and molecule structure) with .