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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: Q9UQF2
No. Gene UniProt ID Protein Name Pathway PDB
1 MAPK8IP1 Q9UQF2 C-Jun-amino-terminal kinase-interacting protein 1 hsa04010 2G01; 2GMX; 2H96; 3OXI; 3PTG; 3VUD; 3VUG; 3VUH; 3VUI; 3VUK; 3VUL; 3VUM; 4E73; 4G1W; 4H39; 4HYS; 4HYU; 4IZY


5 known interactions (drugs) of input target (MAPK8IP1): C-Jun-amino-terminal kinase-interacting protein 1
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental SmallMoleculeDrug DB01782 2,6-Dihydroanthra/1,9-Cd/Pyrazol-6-One Thumb
2 Approved SmallMoleculeDrug DB11157 Anthralin Thumb
3 Experimental SmallMoleculeDrug DB07276 5-CYANO-N-(2,5-DIMETHOXYBENZYL)-6-ETHOXYPYRIDINE-2-CARBOXAMIDE Thumb
4 Experimental SmallMoleculeDrug DB07218 6-CHLORO-9-HYDROXY-1,3-DIMETHYL-1,9-DIHYDRO-4H-PYRAZOLO[3,4-B]QUINOLIN-4-ONE Thumb
5 Experimental SmallMoleculeDrug DB07272 N-(4-AMINO-5-CYANO-6-ETHOXYPYRIDIN-2-YL)-2-(4-BROMO-2,5-DIMETHOXYPHENYL)ACETAMIDE Thumb


20 predicted interactions (drugs) of input target (MAPK8IP1): C-Jun-amino-terminal kinase-interacting protein 1
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Experimental SmallMoleculeDrug DB07268 2-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)BENZAMIDE Thumb 39.6%
2 Experimental SmallMoleculeDrug DB07845 2-fluoro-6-{[2-({2-methoxy-4-[(methylsulfonyl)methyl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide Thumb 35.6%
3 Approved;
Nutraceutical		 SmallMoleculeDrug DB00157 NADH Thumb 31.7%
4 Approved;
Investigational;
Nutraceutical		 SmallMoleculeDrug DB00167 L-Isoleucine Thumb 20.0%
5 Approved;
Investigational;
Nutraceutical		 SmallMoleculeDrug DB00627 Niacin Thumb 19.6%
6 Approved SmallMoleculeDrug DB00641 Simvastatin Thumb 19.4%
7 Experimental SmallMoleculeDrug DB02637 Oxaloacetate Ion Thumb 17.5%
8 Experimental SmallMoleculeDrug DB08356 4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol Thumb 16.3%
9 Experimental SmallMoleculeDrug DB03084 Cyclopropyl-{4-[5-(3,4-Dichlorophenyl)-2-[(1-Methyl)-Piperidin]-4-Yl-3-Propyl-3h-Imidazol-4-Yl]-Pyrimidin-2-Yl}Amine Thumb 16.0%
10 Experimental SmallMoleculeDrug DB01356 Lithium Thumb 15.9%
11 Approved SmallMoleculeDrug DB00536 Guanidine Thumb 15.7%
12 Approved SmallMoleculeDrug DB06616 Bosutinib Thumb 15.2%
13 Investigational SmallMoleculeDrug DB02342 2-Methoxyestradiol Thumb 15.0%
14 Investigational BiotechDrug DB05675 EP-2104R Thumb 14.8%
15 Experimental SmallMoleculeDrug DB08180 2-[METHYL-(5-GERANYL-4-METHYL-PENT-3-ENYL)-AMINO]-ETHYL-DIPHOSPHATE Thumb 14.1%
16 Approved;
Investigational;
Nutraceutical		 SmallMoleculeDrug DB00118 Ademetionine Thumb 14.0%
17 Experimental;
Investigational		 SmallMoleculeDrug DB03496 Alvocidib Thumb 13.9%
18 Investigational SmallMoleculeDrug DB12961 Leukotriene B4 Thumb 13.9%
19 Investigational SmallMoleculeDrug DB05398 C31G Thumb 13.6%
20 Experimental SmallMoleculeDrug DB04453 4-O-(4,6-Dideoxy-4-{[4-[(4-O-Hexopyranosylhexopyranosyl)Oxy]-5,6-Dihydroxy-3-(Hydroxymethyl)Cyclohex-2-En-1-Yl]Amino}Hexopyranosyl)Hexopyranose Thumb 13.6%


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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.