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: P42126
No. Gene UniProt ID Protein Name Pathway PDB
1 ECI1 P42126 Enoyl-CoA delta isomerase 1, mitochondrial hsa00071 1SG4


2 known interactions (drugs) of input target (ECI1): Enoyl-CoA delta isomerase 1, mitochondrial
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental SmallMoleculeDrug DB03127 Benzamidine Thumb
2 Experimental SmallMoleculeDrug DB02910 Octanoyl-Coenzyme A Thumb


20 predicted interactions (drugs) of input target (ECI1): Enoyl-CoA delta isomerase 1, mitochondrial
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Experimental SmallMoleculeDrug DB03415 3-Thiaoctanoyl-Coenzyme A Thumb 19.9%
2 Approved;
Investigational		 SmallMoleculeDrug DB01593 Zinc Thumb 18.4%
3 Experimental SmallMoleculeDrug DB04117 4-(N,N-Dimethylamino)Cinnamoyl-Coa Thumb 16.8%
4 Approved;
Experimental		 SmallMoleculeDrug DB03796 Palmitic Acid Thumb 16.5%
5 Investigational SmallMoleculeDrug DB08846 Ellagic Acid Thumb 16.4%
6 Approved;
Investigational;
Withdrawn		 BiotechDrug DB00013 Urokinase Thumb 15.8%
7 Approved;
Investigational		 SmallMoleculeDrug DB12598 Nafamostat Thumb 15.3%
8 Approved;
Investigational;
Nutraceutical		 SmallMoleculeDrug DB00155 L-Citrulline Thumb 15.1%
9 Approved;
Investigational;
Withdrawn		 BiotechDrug DB06692 Aprotinin Thumb 13.3%
10 Experimental SmallMoleculeDrug DB01805 Monoisopropylphosphorylserine Thumb 12.5%
11 Approved BiotechDrug DB11601 Tuberculin Purified Protein Derivative Thumb 12.5%
12 Approved;
Experimental		 SmallMoleculeDrug DB13746 Bioallethrin Thumb 12.3%
13 Experimental SmallMoleculeDrug DB08271 N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID Thumb 12.3%
14 Approved;
Investigational		 BiotechDrug DB13933 Nonacog beta pegol Thumb 12.0%
15 Experimental SmallMoleculeDrug DB02563 Hexanoyl-CoA Thumb 11.6%
16 Experimental SmallMoleculeDrug DB03129 [3-(1,3,2-Dioxaborolan-2-Yloxy)Propyl]Guanidine Thumb 11.5%
17 Approved;
Investigational		 SmallMoleculeDrug DB09130 Copper Thumb 11.5%
18 Experimental SmallMoleculeDrug DB02379 Beta-D-Glucose Thumb 11.5%
19 Approved;
Illicit;
Investigational		 SmallMoleculeDrug DB00230 Pregabalin Thumb 11.3%
20 Approved;
Withdrawn		 SmallMoleculeDrug DB00637 Astemizole Thumb 11.3%


  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.