Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 15/20 | 0.49 |
| ▸ | ITGA5 | P08648 | 14/20 | 0.49 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.43 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.43 |
| ▸ | ITGB3 | P05106 | 4/20 | 0.40 |
| ▸ | ITGAV | P06756 | 4/20 | 0.40 |
| ▸ | NOS2 | P35228 | 2/20 | 0.39 |
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8234189 | 0.83 | ITGB1 (0.68) | ITGB1ITGA5ITGB3ITGAV | |
| SCHEMBL4064305 | 0.83 | ITGB1 (0.68) | ITGB1ITGA5ITGB3ITGAV | |
| SCHEMBL4927156 | 0.76 | ITGB1 (0.82) | ITGB1ITGA5ITGB3ITGAV | |
| SCHEMBL8234267 | 0.76 | ITGB1 (0.82) | ITGB1ITGA5ITGB3ITGAV | |
| SCHEMBL4928350 | 0.74 | ITGB1 (0.82) | ITGB1ITGA5ITGB3ITGAV | |
| SCHEMBL4074572 | 0.71 | KLK5 (0.44) | ITGB1ITGA5ITGB3 | |
| SCHEMBL4063291 | 0.70 | ITGB1 (0.64) | ITGB1ITGA5ITGB3ITGAV | |
| SCHEMBL5784819 | 0.69 | ITGA4 (0.61) | ITGB1ITGA4ITGB7 | |
| SCHEMBL4067205 | 0.69 | KLK5 (0.44) | ITGB1ITGA5ITGB3 | |
| SCHEMBL8228529 | 0.69 | KLK5 (0.44) | ITGB1ITGA5ITGB3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2049490-A1 | N-(BENZOYL)-O- [2- (PYRIDIN- 2 -YLAMINO) ETHYL]-L-TYROSINE DERIVATIVES AND RELATED COMPOUNDS AS A5B1 ANTAGONISTS FOR THE TREATMENT OF SOLID TUMORS | Astra Zeneca AB (SE) | 2009-04-22 | — | — | EP | disclosed |
| WO-2007141473-A1 | N-(BENZOYL)-O- [2- (PYRIDIN- 2 -YLAMINO) ETHYL] -L-TYROSINE DERIVATIVES AND RELATED COMPOUNDS AS A5B1 ANTAGONISTS FOR THE TREATMENT OF SOLID TUMORS | ASTRAZENECA AB (SE) | 2007-12-13 | — | — | WO | disclosed |