QuartataWeb
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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: P45954
No. Gene UniProt ID Protein Name Pathway PDB
1 ACADSB P45954 Short/branched chain specific acyl-CoA dehydrogenase, mitochondrial hsa00071; hsa00280; hsa01100; hsa01212 2JIF


2 known interactions (drugs) of input target (ACADSB): Short/branched chain specific acyl-CoA dehydrogenase, mitochondrial
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Investigational		 SmallMoleculeDrug DB00313 Valproic Acid Thumb
2 Approved;
Investigational;
Nutraceutical		 SmallMoleculeDrug DB00167 L-Isoleucine Thumb


20 predicted interactions (drugs) of input target (ACADSB): Short/branched chain specific acyl-CoA dehydrogenase, mitochondrial
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Approved;
Investigational		 SmallMoleculeDrug DB05541 Brivaracetam Thumb 44.3%
2 Approved SmallMoleculeDrug DB13269 Dichlorobenzyl alcohol Thumb 40.3%
3 Approved;
Investigational		 SmallMoleculeDrug DB00909 Zonisamide Thumb 39.4%
4 Approved;
Investigational;
Nutraceutical		 SmallMoleculeDrug DB00114 Pyridoxal Phosphate Thumb 26.2%
5 Approved SmallMoleculeDrug DB06218 Lacosamide Thumb 25.9%
6 Investigational SmallMoleculeDrug DB05232 Tetrodotoxin Thumb 25.2%
7 Approved;
Vet approved		 SmallMoleculeDrug DB00252 Phenytoin Thumb 23.7%
8 Approved;
Experimental		 SmallMoleculeDrug DB03796 Palmitic Acid Thumb 20.1%
9 Approved;
Vet approved		 SmallMoleculeDrug DB00945 Acetylsalicylic acid Thumb 19.3%
10 Approved;
Illicit		 SmallMoleculeDrug DB00907 Cocaine Thumb 18.5%
11 Approved SmallMoleculeDrug DB01197 Captopril Thumb 17.0%
12 Approved;
Nutraceutical		 SmallMoleculeDrug DB00133 Serine Thumb 16.3%
13 Experimental SmallMoleculeDrug DB13520 Metergoline Thumb 16.3%
14 Approved;
Investigational		 SmallMoleculeDrug DB01132 Pioglitazone Thumb 16.0%
15 Approved;
Nutraceutical		 SmallMoleculeDrug DB00142 Glutamic Acid Thumb 15.8%
16 Approved;
Investigational		 SmallMoleculeDrug DB12010 Fostamatinib Thumb 15.8%
17 Experimental SmallMoleculeDrug DB02635 N-[O-Phosphono-Pyridoxyl]-Isoleucine Thumb 15.8%
18 Approved;
Investigational		 SmallMoleculeDrug DB00786 Marimastat Thumb 15.2%
19 Experimental SmallMoleculeDrug DB04235 4-Amino Hexanoic Acid Thumb 14.9%
20 Approved SmallMoleculeDrug DB00780 Phenelzine Thumb 14.8%


  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.