QuartataWeb
Home  |   About  |   Theory  |   Tutorials  |   FAQ  |   Bahar Lab  |   Statistics
 

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: P41250
No. Gene UniProt ID Protein Name Pathway PDB
1 GARS P41250 Glycine--tRNA ligase hsa00970 2PME; 2PMF; 2Q5H; 2Q5I; 2ZT5; 2ZT6; 2ZT7; 2ZT8; 2ZXF; 4KQE; 4KR2; 4KR3; 4QEI


1 known interactions (drugs) of input target (GARS): Glycine--tRNA ligase
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Nutraceutical;
Vet approved		 SmallMoleculeDrug DB00145 Glycine Thumb


20 predicted interactions (drugs) of input target (GARS): Glycine--tRNA ligase
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Approved;
Investigational;
Nutraceutical		 SmallMoleculeDrug DB00114 Pyridoxal Phosphate Thumb 25.7%
2 Approved;
Investigational		 SmallMoleculeDrug DB12010 Fostamatinib Thumb 16.3%
3 Experimental;
Investigational		 BiotechDrug DB14009 Medical Cannabis Thumb 15.4%
4 Approved;
Withdrawn		 SmallMoleculeDrug DB00431 Lindane Thumb 15.2%
5 Approved;
Nutraceutical		 SmallMoleculeDrug DB01956 Taurine Thumb 14.9%
6 Approved;
Investigational		 SmallMoleculeDrug DB12267 Brigatinib Thumb 14.0%
7 Approved;
Nutraceutical		 SmallMoleculeDrug DB00160 L-Alanine Thumb 13.6%
8 Approved SmallMoleculeDrug DB09089 Trimebutine Thumb 13.3%
9 Experimental SmallMoleculeDrug DB00466 Picrotoxin Thumb 13.0%
10 Experimental SmallMoleculeDrug DB02079 Aminooxyacetic acid Thumb 12.7%
11 Approved;
Vet approved		 SmallMoleculeDrug DB00626 Bacitracin Thumb 12.7%
12 Investigational SmallMoleculeDrug DB12695 Phenethyl Isothiocyanate Thumb 12.6%
13 Investigational SmallMoleculeDrug DB05885 Seletracetam Thumb 12.1%
14 Nutraceutical SmallMoleculeDrug DB00116 Tetrahydrofolic acid Thumb 12.0%
15 Experimental SmallMoleculeDrug DB07557 (5BETA)-PREGNANE-3,20-DIONE Thumb 11.6%
16 Approved;
Vet approved		 SmallMoleculeDrug DB00572 Atropine Thumb 11.6%
17 Approved;
Nutraceutical		 SmallMoleculeDrug DB00151 L-Cysteine Thumb 11.4%
18 Approved;
Investigational;
Withdrawn		 BiotechDrug DB09098 Somatrem Thumb 11.1%
19 Approved SmallMoleculeDrug DB00514 Dextromethorphan Thumb 11.0%
20 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB00228 Enflurane Thumb 10.6%


  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.