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: Q9NSE4
No. Gene UniProt ID Protein Name Pathway PDB
1 IARS2 Q9NSE4 Isoleucine--tRNA ligase, mitochondrial hsa00970 NA


1 known interactions (drugs) of input target (IARS2): Isoleucine--tRNA ligase, mitochondrial
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Investigational;
Nutraceutical		 SmallMoleculeDrug DB00167 L-Isoleucine Thumb


20 predicted interactions (drugs) of input target (IARS2): Isoleucine--tRNA ligase, mitochondrial
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Approved;
Nutraceutical		 SmallMoleculeDrug DB00142 Glutamic Acid Thumb 21.6%
2 Experimental SmallMoleculeDrug DB02142 Pyridoxamine-5'-Phosphate Thumb 16.8%
3 Approved;
Experimental		 SmallMoleculeDrug DB03796 Palmitic Acid Thumb 15.0%
4 Experimental SmallMoleculeDrug DB01375 Aluminium monostearate Thumb 13.2%
5 Experimental SmallMoleculeDrug DB07544 N'-(5-CHLOROBENZOFURAN-2-CARBONYL)-2-(TRIFLUOROMETHYL)BENZENESULFONOHYDRAZIDE Thumb 13.1%
6 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB01234 Dexamethasone Thumb 12.7%
7 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB13952 Estradiol acetate Thumb 12.5%
8 Approved;
Investigational		 BiotechDrug DB00075 Muromonab Thumb 11.9%
9 Approved SmallMoleculeDrug DB00675 Tamoxifen Thumb 11.7%
10 Experimental SmallMoleculeDrug DB08601 tributylstannanyl Thumb 11.6%
11 Approved;
Nutraceutical		 SmallMoleculeDrug DB00132 Alpha-Linolenic Acid Thumb 11.4%
12 Experimental SmallMoleculeDrug DB08010 (3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-[(E)-2-phenylethenyl]-1H-indole-2,3-dione 3-oxime Thumb 11.2%
13 Approved;
Investigational		 SmallMoleculeDrug DB09059 Atosiban Thumb 11.2%
14 Experimental SmallMoleculeDrug DB03401 1D-myo-inositol 1,4,5-trisphosphate Thumb 11.0%
15 Approved;
Investigational		 BiotechDrug DB09052 Blinatumomab Thumb 10.8%
16 Investigational SmallMoleculeDrug DB06081 Caplacizumab Thumb 10.6%
17 Approved;
Experimental;
Investigational		 SmallMoleculeDrug DB01942 Formic Acid Thumb 10.6%
18 Approved;
Vet approved		 SmallMoleculeDrug DB00945 Acetylsalicylic acid Thumb 10.4%
19 Experimental SmallMoleculeDrug DB02635 N-[O-Phosphono-Pyridoxyl]-Isoleucine Thumb 10.3%
20 Investigational SmallMoleculeDrug DB11973 Tesevatinib Thumb 10.1%


  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.