Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Ximelagatran. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2 known ✓ | P00734 | 16/20 | 0.88 |
| ▸ | PLAT | P00750 | 1/20 | 0.41 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.41 |
| ▸ | F10 | P00742 | 3/20 | 0.39 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.37 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TMPRSS11D | O60235 | 1/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Ximelagatran SCHEMBL14509860 | 0.94 | F2 (1.00) | F2PLATPRSS1F10ITGB3 | |
| Ximelagatran SCHEMBL15908919 | 0.94 | F2 (1.00) | F2PLATPRSS1F10ITGB3 | |
| Ximelagatran SCHEMBL4845 | 0.94 | F2 (1.00) | F2PLATPRSS1F10ITGB3 | |
| Ximelagatran SCHEMBL19065093 | 0.94 | F2 (1.00) | F2PLATPRSS1F10ITGB3 | |
| SCHEMBL8081029 | 0.84 | F2 (0.81) | F2PLATPRSS1F10ITGB3 | |
| SCHEMBL8302614 | 0.83 | F2 (0.79) | F2PLATPRSS1F10 | |
| SCHEMBL8088279 | 0.83 | F2 (0.79) | F2PLATPRSS1F10ITGB3 | |
| SCHEMBL8083322 | 0.82 | F2 (0.78) | F2PLATPRSS1F10ALDH1A1 | |
| SCHEMBL6818264 | 0.81 | F2 (0.77) | F2PLATPRSS1F10ALDH1A1 | |
| SCHEMBL13777388 | 0.81 | F2 (0.76) | F2PLATPRSS1ALDH1A1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6518434-B2 | N-carboxyanhydrides (NCAs) are copupled directly to cyclic amino acids amide derivatives to form peptide linkage | ASTRAZENECA AB (SE) | 2003-02-11 | — | — | US | disclosed |
| EP-1257533-A1 | NEW COUPLING PROCESS | AstraZeneca AB (SE) | 2002-11-20 | — | — | EP | disclosed |
| US-20020128452-A1 | N-carboxyanhydrides (NCAs) are copupled directly to cyclic amino acids amide derivatives to form peptide linkage | ASTRAZENECA AB (SE) | 2002-09-12 | — | — | US | disclosed |
| WO-2001056986-A1 | NEW COUPLING PROCESS | ASTRAZENECA AB (SE) | 2001-08-09 | — | — | WO | disclosed |