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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: P19320
No. Gene UniProt ID Protein Name Pathway PDB
1 VCAM1 P19320 Vascular cell adhesion protein 1 hsa04064; hsa04514; hsa04668; hsa04670; hsa04933; hsa05143; hsa05144; hsa05166; hsa05418 1IJ9; 1VCA; 1VSC


4 known interactions (drugs) of input target (VCAM1): Vascular cell adhesion protein 1
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Investigational		 SmallMoleculeDrug DB01136 Carvedilol Thumb
2 Approved;
Nutraceutical		 SmallMoleculeDrug DB11338 Clove oil Thumb
3 Approved SmallMoleculeDrug DB00898 Ethanol Thumb
4 Investigational SmallMoleculeDrug DB05399 Succinobucol Thumb


20 predicted interactions (drugs) of input target (VCAM1): Vascular cell adhesion protein 1
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Approved;
Vet approved		 SmallMoleculeDrug DB01159 Halothane Thumb 28.0%
2 Approved;
Investigational		 SmallMoleculeDrug DB00555 Lamotrigine Thumb 27.2%
3 Approved SmallMoleculeDrug DB00321 Amitriptyline Thumb 26.6%
4 Approved;
Investigational;
Nutraceutical		 SmallMoleculeDrug DB00143 Glutathione Thumb 26.5%
5 Approved;
Investigational		 SmallMoleculeDrug DB09061 Cannabidiol Thumb 25.9%
6 Approved SmallMoleculeDrug DB00726 Trimipramine Thumb 23.7%
7 Approved;
Investigational		 SmallMoleculeDrug DB01054 Nitrendipine Thumb 23.1%
8 Experimental;
Investigational		 BiotechDrug DB14009 Medical Cannabis Thumb 23.0%
9 Approved;
Investigational		 SmallMoleculeDrug DB00622 Nicardipine Thumb 22.9%
10 Approved;
Investigational		 SmallMoleculeDrug DB11633 Isavuconazole Thumb 22.2%
11 Approved;
Investigational		 SmallMoleculeDrug DB00996 Gabapentin Thumb 21.5%
12 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB00477 Chlorpromazine Thumb 21.3%
13 Approved;
Investigational;
Nutraceutical		 SmallMoleculeDrug DB00114 Pyridoxal Phosphate Thumb 21.0%
14 Approved;
Investigational		 SmallMoleculeDrug DB01023 Felodipine Thumb 21.0%
15 Approved SmallMoleculeDrug DB00273 Topiramate Thumb 20.5%
16 Approved;
Investigational		 SmallMoleculeDrug DB00568 Cinnarizine Thumb 20.4%
17 Approved;
Nutraceutical		 SmallMoleculeDrug DB00127 Spermine Thumb 20.2%
18 Approved SmallMoleculeDrug DB00333 Methadone Thumb 20.0%
19 Approved;
Vet approved		 SmallMoleculeDrug DB00572 Atropine Thumb 19.9%
20 Approved SmallMoleculeDrug DB06707 Levonordefrin Thumb 19.8%


  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.