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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: P06493
No. Gene UniProt ID Protein Name Pathway PDB
1 CDK1 P06493 Cyclin-dependent kinase 1 hsa04110; hsa04114; hsa04115; hsa04218; hsa04540; hsa04914; hsa05168; hsa05169; hsa05170; hsa05203 1LC9; 4Y72; 4YC6


9 known interactions (drugs) of input target (CDK1): Cyclin-dependent kinase 1
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental SmallMoleculeDrug DB02116 Olomoucine Thumb
2 Experimental SmallMoleculeDrug DB02950 Hymenialdisine Thumb
3 Experimental SmallMoleculeDrug DB04014 Alsterpaullone Thumb
4 Experimental SmallMoleculeDrug DB03428 SU9516 Thumb
5 Approved;
Investigational		 SmallMoleculeDrug DB12010 Fostamatinib Thumb
6 Experimental SmallMoleculeDrug DB02052 Indirubin-3'-Monoxime Thumb
7 Investigational SmallMoleculeDrug DB06195 Seliciclib Thumb
8 Experimental;
Investigational		 SmallMoleculeDrug DB03496 Alvocidib Thumb
9 Investigational SmallMoleculeDrug DB05037 AT7519 Thumb


20 predicted interactions (drugs) of input target (CDK1): Cyclin-dependent kinase 1
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Experimental SmallMoleculeDrug DB07364 6-PHENYL[5H]PYRROLO[2,3-B]PYRAZINE Thumb 47.0%
2 Experimental SmallMoleculeDrug DB02733 Purvalanol Thumb 40.7%
3 Approved;
Investigational		 SmallMoleculeDrug DB01254 Dasatinib Thumb 32.9%
4 Experimental SmallMoleculeDrug DB02482 Phosphonothreonine Thumb 31.1%
5 Experimental SmallMoleculeDrug DB02010 Staurosporine Thumb 29.7%
6 Approved SmallMoleculeDrug DB08896 Regorafenib Thumb 29.7%
7 Approved SmallMoleculeDrug DB06616 Bosutinib Thumb 27.8%
8 Investigational SmallMoleculeDrug DB13930 Ulixertinib Thumb 24.1%
9 Experimental SmallMoleculeDrug DB08140 5-[(4-AMINOCYCLOHEXYL)AMINO]-7-(PROPAN-2-YLAMINO)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE Thumb 23.4%
10 Approved;
Investigational		 SmallMoleculeDrug DB01169 Arsenic trioxide Thumb 23.1%
11 Experimental SmallMoleculeDrug DB02963 (5-Chloropyrazolo[1,5-a]Pyrimidin-7-Yl)-(4-Methanesulfonylphenyl)Amine Thumb 23.0%
12 Approved;
Investigational		 SmallMoleculeDrug DB01064 Isoprenaline Thumb 22.6%
13 Approved;
Investigational		 SmallMoleculeDrug DB00398 Sorafenib Thumb 22.5%
14 Experimental SmallMoleculeDrug DB08066 N-[3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRAZOL-4-YL]BENZAMIDE Thumb 22.3%
15 Experimental SmallMoleculeDrug DB02197 4-[(4-Imidazo[1,2-a]Pyridin-3-Ylpyrimidin-2-Yl)Amino]Benzenesulfonamide Thumb 22.1%
16 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB01392 Yohimbine Thumb 21.7%
17 Experimental SmallMoleculeDrug DB08768 N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-6-AMINE Thumb 20.8%
18 Investigational SmallMoleculeDrug DB05969 SNS-032 Thumb 20.6%
19 Experimental;
Investigational		 SmallMoleculeDrug DB04216 Quercetin Thumb 20.6%
20 Approved SmallMoleculeDrug DB05294 Vandetanib Thumb 20.2%


  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.