Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 7/20 | 0.46 |
| ▸ | ITGAV | P06756 | 7/20 | 0.46 |
| ▸ | ITGB1 | P05556 | 4/20 | 0.46 |
| ▸ | ITGA5 | P08648 | 4/20 | 0.46 |
| ▸ | PPARG | P37231 | 8/20 | 0.44 |
| ▸ | PPARD | Q03181 | 7/20 | 0.44 |
| ▸ | PPARA | Q07869 | 6/20 | 0.44 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.41 |
| ▸ | ITGB5 | P18084 | 1/20 | 0.41 |
| ▸ | ITGB6 | P18564 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4071659 | 0.88 | PTGS2 (0.36) | ITGB3ITGAVITGB1ITGA5PPARG | |
| SCHEMBL4196174 | 0.85 | ITGB3 (0.62) | ITGB3ITGAVITGB1ITGA5PPARG | |
| SCHEMBL4200668 | 0.79 | ITGB3 (0.65) | ITGB3ITGAVITGB1ITGA5PPARG | |
| SCHEMBL4074983 | 0.78 | ITGB1 (0.64) | ITGB3ITGAVITGB1ITGA5 | |
| SCHEMBL4068227 | 0.78 | ITGB1 (0.63) | ITGB3ITGAVITGB1ITGA5ITGA2B | |
| SCHEMBL4069743 | 0.77 | ITGB1 (0.58) | ITGB3ITGAVITGB1ITGA5 | |
| SCHEMBL4743659 | 0.77 | ITGB1 (0.54) | ITGB3ITGAVITGB1ITGA5PPARG | |
| SCHEMBL4066312 | 0.76 | ITGB1 (0.65) | ITGB3ITGAVITGB1ITGA5 | |
| SCHEMBL4068793 | 0.75 | ITGB1 (0.65) | ITGB3ITGAVITGB1ITGA5PPARG | |
| SCHEMBL4068658 | 0.75 | ITGB1 (0.57) | ITGB3ITGAVITGB1ITGA5PPARG |
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 |
|---|---|---|---|---|---|---|---|
| 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-2008093065-A1 | L-ALANINE DERIVATIVES AS α5βL ANTAGONISTS | ASTRAZENECA AB (SE) | 2008-08-07 | — | — | WO | disclosed |
| WO-2008093064-A1 | L-ALANINE DERIVATIVES AS α5 BETA 1 ANTAGONISTS | ASTRAZENECA AB (SE) | 2008-08-07 | — | — | WO | 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 |