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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: Q9UGN5
No. Gene UniProt ID Protein Name Pathway PDB
1 PARP2 Q9UGN5 Poly [ADP-ribose] polymerase 2 hsa03410; hsa04210; hsa04217 3KCZ; 3KJD; 4PJV; 4TVJ; 4ZZX; 4ZZY


4 known interactions (drugs) of input target (PARP2): Poly [ADP-ribose] polymerase 2
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Investigational SmallMoleculeDrug DB07232 Veliparib Thumb
2 Approved SmallMoleculeDrug DB09074 Olaparib Thumb
3 Approved;
Investigational		 SmallMoleculeDrug DB12332 Rucaparib Thumb
4 Approved;
Investigational		 SmallMoleculeDrug DB11793 Niraparib Thumb


20 predicted interactions (drugs) of input target (PARP2): Poly [ADP-ribose] polymerase 2
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Approved;
Investigational		 SmallMoleculeDrug DB01593 Zinc Thumb 36.0%
2 Experimental SmallMoleculeDrug DB03073 3-Methoxybenzamide Thumb 30.8%
3 Approved;
Investigational		 SmallMoleculeDrug DB11638 Artenimol Thumb 27.8%
4 Experimental SmallMoleculeDrug DB03509 2-(4-Chlorophenyl)-5-Quinoxalinecarboxamide Thumb 27.5%
5 Experimental SmallMoleculeDrug DB07787 5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN-1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)-DIONE Thumb 27.3%
6 Experimental SmallMoleculeDrug DB02690 NU1025 Thumb 26.6%
7 Experimental SmallMoleculeDrug DB07330 trans-4-(7-carbamoyl-1H-benzimidazol-2-yl)-1-propylpiperidinium Thumb 25.7%
8 Approved SmallMoleculeDrug DB03147 Flavin adenine dinucleotide Thumb 24.9%
9 Experimental SmallMoleculeDrug DB04010 2-(3'-Methoxyphenyl) Benzimidazole-4-Carboxamide Thumb 23.8%
10 Experimental SmallMoleculeDrug DB03722 3,4-Dihydro-5-Methyl-Isoquinolinone Thumb 22.5%
11 Experimental SmallMoleculeDrug DB03072 2-{3-[4-(4-Fluorophenyl)-3,6-Dihydro-1(2h)-Pyridinyl]Propyl}-8-Methyl-4(3h)-Quinazolinone Thumb 22.2%
12 Experimental SmallMoleculeDrug DB02498 Carba-Nicotinamide-Adenine-Dinucleotide Thumb 22.2%
13 Experimental SmallMoleculeDrug DB07096 6-AMINO-BENZO[DE]ISOQUINOLINE-1,3-DIONE Thumb 21.6%
14 Approved;
Investigational		 SmallMoleculeDrug DB02701 Nicotinamide Thumb 20.2%
15 Experimental SmallMoleculeDrug DB08058 4-[3-(1,4-diazepan-1-ylcarbonyl)-4-fluorobenzyl]phthalazin-1(2H)-one Thumb 19.7%
16 Approved SmallMoleculeDrug DB00277 Theophylline Thumb 19.5%
17 Experimental SmallMoleculeDrug DB07677 2-methyl-3,5,7,8-tetrahydro-4H-thiopyrano[4,3-d]pyrimidin-4-one Thumb 19.2%
18 Investigational SmallMoleculeDrug DB13877 Iniparib Thumb 19.2%
19 Experimental SmallMoleculeDrug DB03814 2-(N-Morpholino)-Ethanesulfonic Acid Thumb 17.6%
20 Investigational SmallMoleculeDrug DB11755 Tetrahydrocannabivarin Thumb 16.4%


  logl

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.

Contact:

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.