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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: P05164
No. Gene UniProt ID Protein Name Pathway PDB
1 MPO P05164 Myeloperoxidase hsa00983; hsa04145; hsa05202; hsa05221 1CXP; 1D2V; 1D5L; 1D7W; 1DNU; 1DNW; 1MHL; 1MYP; 3F9P; 3ZS0; 3ZS1; 4C1M; 4DL1; 4EJX; 5FIW


5 known interactions (drugs) of input target (MPO): Myeloperoxidase
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Nutraceutical;
Vet approved		 SmallMoleculeDrug DB01065 Melatonin Thumb
2 Approved SmallMoleculeDrug DB00244 Mesalazine Thumb
3 Withdrawn SmallMoleculeDrug DB04821 Nomifensine Thumb
4 Approved;
Investigational		 SmallMoleculeDrug DB00583 L-Carnitine Thumb
5 Approved SmallMoleculeDrug DB00535 Cefdinir Thumb


20 predicted interactions (drugs) of input target (MPO): Myeloperoxidase
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Experimental SmallMoleculeDrug DB08231 Myristic acid Thumb 34.8%
2 Approved;
Vet approved		 SmallMoleculeDrug DB00586 Diclofenac Thumb 30.7%
3 Approved;
Nutraceutical		 SmallMoleculeDrug DB00142 Glutamic Acid Thumb 26.8%
4 Approved;
Investigational		 SmallMoleculeDrug DB01074 Perhexiline Thumb 23.7%
5 Approved SmallMoleculeDrug DB00795 Sulfasalazine Thumb 22.4%
6 Approved SmallMoleculeDrug DB00898 Ethanol Thumb 22.1%
7 Experimental;
Illicit;
Investigational		 SmallMoleculeDrug DB01454 Midomafetamine Thumb 22.0%
8 Approved;
Investigational		 SmallMoleculeDrug DB06151 Acetylcysteine Thumb 21.8%
9 Approved;
Nutraceutical		 SmallMoleculeDrug DB13961 Fish oil Thumb 21.7%
10 Approved;
Investigational;
Nutraceutical		 SmallMoleculeDrug DB00155 L-Citrulline Thumb 21.4%
11 Approved;
Withdrawn		 SmallMoleculeDrug DB01244 Bepridil Thumb 21.2%
12 Approved;
Investigational		 SmallMoleculeDrug DB06594 Agomelatine Thumb 20.7%
13 Approved SmallMoleculeDrug DB00502 Haloperidol Thumb 20.7%
14 Approved;
Investigational		 SmallMoleculeDrug DB00579 Mazindol Thumb 20.7%
15 Approved;
Investigational;
Nutraceutical		 SmallMoleculeDrug DB01381 Ginkgo biloba Thumb 20.4%
16 Approved;
Investigational		 SmallMoleculeDrug DB09481 Magnesium carbonate Thumb 20.2%
17 Approved;
Vet approved		 SmallMoleculeDrug DB01221 Ketamine Thumb 19.9%
18 Approved SmallMoleculeDrug DB00233 Aminosalicylic Acid Thumb 19.8%
19 Approved;
Experimental;
Investigational		 SmallMoleculeDrug DB02709 Resveratrol Thumb 19.8%
20 Approved;
Illicit		 SmallMoleculeDrug DB00191 Phentermine 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.