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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: Q9Y6F1
No. Gene UniProt ID Protein Name Pathway PDB
1 PARP3 Q9Y6F1 Poly [ADP-ribose] polymerase 3 hsa03410; hsa04210; hsa04217 2EOC; 3C49; 3C4H; 3CE0; 3FHB; 4GV0; 4GV2; 4GV4; 4L6Z; 4L70; 4L7L; 4L7N; 4L7O; 4L7P; 4L7R; 4L7U


5 known interactions (drugs) of input target (PARP3): Poly [ADP-ribose] polymerase 3
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental SmallMoleculeDrug DB08348 N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE Thumb
2 Approved SmallMoleculeDrug DB09074 Olaparib Thumb
3 Experimental SmallMoleculeDrug DB07677 2-methyl-3,5,7,8-tetrahydro-4H-thiopyrano[4,3-d]pyrimidin-4-one Thumb
4 Approved;
Investigational		 SmallMoleculeDrug DB12332 Rucaparib Thumb
5 Experimental SmallMoleculeDrug DB08058 4-[3-(1,4-diazepan-1-ylcarbonyl)-4-fluorobenzyl]phthalazin-1(2H)-one Thumb


20 predicted interactions (drugs) of input target (PARP3): Poly [ADP-ribose] polymerase 3
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Investigational SmallMoleculeDrug DB07232 Veliparib Thumb 26.1%
2 Approved SmallMoleculeDrug DB03147 Flavin adenine dinucleotide Thumb 23.2%
3 Approved;
Investigational		 SmallMoleculeDrug DB11793 Niraparib Thumb 22.3%
4 Approved;
Investigational		 BiotechDrug DB04899 Nesiritide Thumb 21.5%
5 Approved SmallMoleculeDrug DB00852 Pseudoephedrine Thumb 21.5%
6 Approved;
Investigational;
Nutraceutical		 SmallMoleculeDrug DB00155 L-Citrulline Thumb 21.0%
7 Approved SmallMoleculeDrug DB09089 Trimebutine Thumb 20.4%
8 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB00721 Procaine Thumb 19.3%
9 Approved;
Nutraceutical		 SmallMoleculeDrug DB00172 L-Proline Thumb 18.9%
10 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB00720 Clodronic Acid Thumb 18.4%
11 Approved SmallMoleculeDrug DB00421 Spironolactone Thumb 17.8%
12 Approved;
Investigational		 SmallMoleculeDrug DB00334 Olanzapine Thumb 17.6%
13 Approved SmallMoleculeDrug DB00468 Quinine Thumb 17.1%
14 Approved;
Investigational		 SmallMoleculeDrug DB09061 Cannabidiol Thumb 16.9%
15 Experimental SmallMoleculeDrug DB03722 3,4-Dihydro-5-Methyl-Isoquinolinone Thumb 16.5%
16 Approved SmallMoleculeDrug DB00266 Dicoumarol Thumb 16.3%
17 Approved;
Investigational;
Nutraceutical		 SmallMoleculeDrug DB00130 L-Glutamine Thumb 16.3%
18 Experimental SmallMoleculeDrug DB02690 NU1025 Thumb 16.2%
19 Investigational SmallMoleculeDrug DB12379 Indirubin Thumb 16.1%
20 Experimental SmallMoleculeDrug DB04315 Guanosine-5'-Diphosphate Thumb 16.1%


  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.