Table 1.
A list of repurposing candidates by searching Drugbank for targets that were similar in sequence (BLAST e-value < 10**−10) and structure (PocketFEATURE similarity < −4.0). We chose compounds that had advanced into clinical trials. Most of the compounds are anticoagulants that target human serine proteases which are active in the clotting cascade.
| Drugbank ID | Name | Target |
|---|---|---|
| DB00278 | Argatroban | Prothrombin |
| DB04898 | Ximelagatran | Prothrombin |
| DB06228 | Rivaroxaban | Coagulation factor X |
| DB06605 | Apixaban | Coagulation factor X |
| DB06635 | Otamixaban | Coagulation factor X |
| DB06695 | Dabigatran | Prothrombin |
| DB09075 | Edoxaban | Coagulation factor X |
| DB12598 | Nafamostat | Coagulation factor X |
| DB12831 | Gabexate | Plasma kallikrein |
| DB12364 | Betrixaban | Coagulation factor X |
| DB06920 | Eribaxaban | Coagulation factor X |
| DB11984 | Letaxaban | Coagulation factor X |
| DB12863 | Sivelestat | Neutrophil Elastase |
| DB13729 | Camostat | Prostasin |
| DB12289 | Darexaban | Coagulation factor X |