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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: P09874
No. Gene UniProt ID Protein Name Pathway PDB
1 PARP1 P09874 Poly [ADP-ribose] polymerase 1 hsa03410; hsa04064; hsa04210; hsa04217

18 known interactions (drugs) of input target (PARP1): Poly [ADP-ribose] polymerase 1
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
1 Experimental SmallMoleculeDrug DB07330 trans-4-(7-carbamoyl-1H-benzimidazol-2-yl)-1-propylpiperidinium Thumb
2 Experimental SmallMoleculeDrug DB07096 6-AMINO-BENZO[DE]ISOQUINOLINE-1,3-DIONE Thumb
3 Experimental SmallMoleculeDrug DB03722 3,4-Dihydro-5-Methyl-Isoquinolinone Thumb
4 Approved;
SmallMoleculeDrug DB02701 Nicotinamide Thumb
5 Experimental SmallMoleculeDrug DB02498 Carba-Nicotinamide-Adenine-Dinucleotide Thumb
6 Investigational SmallMoleculeDrug DB13877 Iniparib Thumb
7 Approved;
SmallMoleculeDrug DB01593 Zinc Thumb
8 Experimental SmallMoleculeDrug DB02690 NU1025 Thumb
9 Experimental SmallMoleculeDrug DB04010 2-(3'-Methoxyphenyl) Benzimidazole-4-Carboxamide Thumb
10 Experimental SmallMoleculeDrug DB03073 3-Methoxybenzamide Thumb
11 Investigational SmallMoleculeDrug DB07232 Veliparib Thumb
12 Experimental SmallMoleculeDrug DB07787 5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN-1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)-DIONE Thumb
13 Experimental SmallMoleculeDrug DB03509 2-(4-Chlorophenyl)-5-Quinoxalinecarboxamide Thumb
14 Approved SmallMoleculeDrug DB00277 Theophylline Thumb
15 Approved SmallMoleculeDrug DB09074 Olaparib Thumb
16 Experimental SmallMoleculeDrug DB03072 2-{3-[4-(4-Fluorophenyl)-3,6-Dihydro-1(2h)-Pyridinyl]Propyl}-8-Methyl-4(3h)-Quinazolinone Thumb
17 Approved;
SmallMoleculeDrug DB11793 Niraparib Thumb
18 Approved;
SmallMoleculeDrug DB12332 Rucaparib Thumb

20 predicted interactions (drugs) of input target (PARP1): Poly [ADP-ribose] polymerase 1
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image Confidence score
1 Approved;
SmallMoleculeDrug DB00157 NADH Thumb 42.1%
2 Approved SmallMoleculeDrug DB00201 Caffeine Thumb 31.3%
3 Approved;
SmallMoleculeDrug DB11638 Artenimol Thumb 30.9%
4 Approved;
SmallMoleculeDrug DB01373 Calcium Thumb 29.7%
5 Investigational SmallMoleculeDrug DB06246 Exisulind Thumb 27.9%
6 Approved SmallMoleculeDrug DB01094 Hesperetin Thumb 27.8%
7 Investigational SmallMoleculeDrug DB04326 Dihydroxyacetone phosphate Thumb 27.0%
8 Approved SmallMoleculeDrug DB06616 Bosutinib Thumb 27.0%
9 Approved SmallMoleculeDrug DB09283 Trapidil Thumb 26.1%
10 Approved;
SmallMoleculeDrug DB00555 Lamotrigine Thumb 25.3%
11 Experimental SmallMoleculeDrug DB00466 Picrotoxin Thumb 24.4%
12 Approved;
BiotechDrug DB04932 Defibrotide Thumb 23.7%
13 Approved;
SmallMoleculeDrug DB11994 Diacerein Thumb 22.0%
14 Investigational SmallMoleculeDrug DB05478 Pradefovir Mesylate Thumb 21.9%
15 Approved;
SmallMoleculeDrug DB01017 Minocycline Thumb 21.9%
16 Experimental SmallMoleculeDrug DB04447 1,4-Dithiothreitol Thumb 21.8%
17 Approved;
SmallMoleculeDrug DB00690 Flurazepam Thumb 20.8%
18 Experimental SmallMoleculeDrug DB03597 Gamma-Glutamyl[S-(2-Iodobenzyl)Cysteinyl]Glycine Thumb 20.7%
19 Experimental SmallMoleculeDrug DB08129 (1R)-2-amino-1-[3-(trifluoromethyl)phenyl]ethanol Thumb 20.5%
20 Approved;
SmallMoleculeDrug DB00127 Spermine Thumb 20.4%


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.