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Network of interactions between drugs (red spheres) and targets (blue spheres) is displayed above.
The red lines are used for the predicted interactions and the thickness of edges indicate the confidence score of predictions.

Data source: DrugBank-all; Query type: target; # of requested predictions: 20; Secondary interactions: no
Input target 1: P11387
No. Gene UniProt ID Protein Name Pathway PDB
1 TOP1 P11387 DNA topoisomerase 1 NA 1A31; 1A35; 1A36; 1EJ9; 1K4S; 1K4T; 1LPQ; 1NH3; 1R49; 1RR8; 1RRJ; 1SC7; 1SEU; 1T8I; 1TL8

14 known interactions (drugs) of input target (TOP1): DNA topoisomerase 1
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
1 Investigational SmallMoleculeDrug DB05129 Elsamitrucin Thumb
2 Approved;
SmallMoleculeDrug DB04967 Lucanthone Thumb
3 Investigational SmallMoleculeDrug DB06159 Rubitecan Thumb
4 Investigational SmallMoleculeDrug DB05482 7-ethyl-10-hydroxycamptothecin Thumb
5 Investigational SmallMoleculeDrug DB05806 Cositecan Thumb
6 Approved SmallMoleculeDrug DB11254 Hexylresorcinol Thumb
7 Approved;
SmallMoleculeDrug DB00762 Irinotecan Thumb
8 Experimental SmallMoleculeDrug DB07354 2,3-DIMETHOXY-12H-[1,3]DIOXOLO[5,6]INDENO[1,2-C]ISOQUINOLIN-6-IUM Thumb
9 Approved;
SmallMoleculeDrug DB05630 Sodium stibogluconate Thumb
10 Investigational SmallMoleculeDrug DB04882 Edotecarin Thumb
11 Experimental SmallMoleculeDrug DB04690 Camptothecin Thumb
12 Investigational SmallMoleculeDrug DB06069 XMT-1001 Thumb
13 Approved;
SmallMoleculeDrug DB01030 Topotecan Thumb
14 Experimental SmallMoleculeDrug DB08159 4-(5,11-DIOXO-5H-INDENO[1,2-C]ISOQUINOLIN-6(11H)-YL)BUTANOATE Thumb

20 predicted interactions (drugs) of input target (TOP1): DNA topoisomerase 1
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image Confidence score
1 Approved;
SmallMoleculeDrug DB00157 NADH Thumb 38.6%
2 Approved;
Vet approved
SmallMoleculeDrug DB00819 Acetazolamide Thumb 26.7%
3 Approved;
SmallMoleculeDrug DB09462 Glycerin Thumb 25.8%
4 Approved SmallMoleculeDrug DB06616 Bosutinib Thumb 24.7%
5 Approved;
BiotechDrug DB00020 Sargramostim Thumb 22.1%
6 Experimental SmallMoleculeDrug DB03185 1-Beta-Ribofuranosyl-1,3-Diazepinone Thumb 21.9%
7 Approved;
SmallMoleculeDrug DB00127 Spermine Thumb 21.7%
8 Approved;
SmallMoleculeDrug DB01593 Zinc Thumb 21.2%
9 Approved;
Vet approved
SmallMoleculeDrug DB01065 Melatonin Thumb 20.6%
10 Approved;
SmallMoleculeDrug DB01083 Orlistat Thumb 20.3%
11 Approved;
SmallMoleculeDrug DB00431 Lindane Thumb 20.0%
12 Approved;
SmallMoleculeDrug DB01942 Formic Acid Thumb 19.5%
13 Approved SmallMoleculeDrug DB00213 Pantoprazole Thumb 19.4%
14 Approved;
SmallMoleculeDrug DB00139 Succinic acid Thumb 19.1%
15 Experimental SmallMoleculeDrug DB07768 (10ALPHA,13ALPHA,14BETA,17ALPHA)-17-HYDROXYANDROST-4-EN-3-ONE Thumb 19.1%
16 Experimental SmallMoleculeDrug DB06849 1-[1'-(3-phenylacryloyl)spiro[1-benzofuran-3,4'-piperidin]-5-yl]methanamine Thumb 18.8%
17 Approved;
SmallMoleculeDrug DB00685 Trovafloxacin Thumb 18.8%
18 Experimental;
SmallMoleculeDrug DB01536 Androstenedione Thumb 18.7%
19 Investigational SmallMoleculeDrug DB12695 Phenethyl Isothiocyanate Thumb 18.5%
20 Experimental SmallMoleculeDrug DB08491 N-HYDROXY-2-[4-(4-PHENOXY-BENZENESULFONYL)-TETRAHYDRO-PYRAN-4-YL]-ACETAMIDE Thumb 18.2%


Reference:  Hongchun Li, Fen Pei, D. Lansing Taylor and Ivet Bahar. (2020) QuartataWeb: Integrated Chemical–Protein-Pathway Mapping for Polypharmacology and Chemogenomics. Bioinformatics 36(12), 3935–3937.


The QuartataWeb server is maintained by the Bahar Lab at the Department of Computational & Systems Biology at the University of Pittsburgh, School of Medicine, and sponsored by the NIH awards P41 GM103712 and P01 DK096990; and by the Li Lab at Research Center for Computer-Aided Drug Discovery at Shenzhen Institutes of Advanced Technology, CAS.

For questions and comments please contact Hongchun Li.