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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: P27797
No. Gene UniProt ID Protein Name Pathway PDB
1 CALR P27797 Calreticulin hsa04141; hsa04145; hsa04612; hsa05142; hsa05163; hsa05166; hsa05170 2CLR; 3DOW; 3POS; 3POW


9 known interactions (drugs) of input target (CALR): Calreticulin
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image
1 Approved;
Nutraceutical;
Vet approved
SmallMoleculeDrug DB01065 Melatonin Thumb
2 Approved;
Investigational
SmallMoleculeDrug DB09130 Copper Thumb
3 Investigational BiotechDrug DB06245 Lanoteplase Thumb
4 Approved BiotechDrug DB13999 Moroctocog alfa Thumb
5 Approved;
Investigational
BiotechDrug DB13998 Lonoctocog alfa Thumb
6 Approved SmallMoleculeDrug DB11093 Calcium Citrate Thumb
7 Approved BiotechDrug DB00031 Tenecteplase Thumb
8 Approved;
Investigational
BiotechDrug DB00025 Antihemophilic factor, human recombinant Thumb
9 Approved SmallMoleculeDrug DB11348 Calcium Phosphate Thumb


20 predicted interactions (drugs) of input target (CALR): Calreticulin
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image Confidence score
1 Approved;
Investigational
SmallMoleculeDrug DB01593 Zinc Thumb 43.3%
2 Approved BiotechDrug DB13152 Coagulation Factor IX Human Thumb 25.6%
3 Approved;
Investigational
BiotechDrug DB09329 Antihemophilic Factor (Recombinant), PEGylated Thumb 25.5%
4 Approved;
Investigational
BiotechDrug DB00100 Coagulation Factor IX (Recombinant) Thumb 25.1%
5 Approved;
Experimental;
Investigational
SmallMoleculeDrug DB02709 Resveratrol Thumb 23.6%
6 Approved;
Investigational
SmallMoleculeDrug DB11638 Artenimol Thumb 22.7%
7 Approved;
Nutraceutical
SmallMoleculeDrug DB00170 Menadione Thumb 22.6%
8 Approved;
Nutraceutical
SmallMoleculeDrug DB01373 Calcium Thumb 22.5%
9 Experimental SmallMoleculeDrug DB08231 Myristic acid Thumb 21.7%
10 Approved;
Investigational
BiotechDrug DB09109 Turoctocog alfa Thumb 21.5%
11 Approved;
Vet approved
SmallMoleculeDrug DB09140 Oxygen Thumb 20.6%
12 Approved BiotechDrug DB09108 Simoctocog Alfa Thumb 19.8%
13 Approved;
Nutraceutical
SmallMoleculeDrug DB00127 Spermine Thumb 19.4%
14 Approved;
Vet approved
SmallMoleculeDrug DB00527 Cinchocaine Thumb 19.2%
15 Approved;
Investigational
SmallMoleculeDrug DB00583 L-Carnitine Thumb 18.5%
16 Approved;
Investigational;
Withdrawn
BiotechDrug DB00013 Urokinase Thumb 18.4%
17 Approved BiotechDrug DB13192 Antihemophilic factor human Thumb 18.2%
18 Approved;
Investigational
BiotechDrug DB00015 Reteplase Thumb 18.1%
19 Approved BiotechDrug DB00009 Alteplase Thumb 17.9%
20 Approved;
Investigational
SmallMoleculeDrug DB00569 Fondaparinux Thumb 17.8%



  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.