Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 17/20 | 0.52 |
| ▸ | ITGA4 | P13612 | 13/20 | 0.52 |
| ▸ | ITGB7 | P26010 | 4/20 | 0.52 |
| ▸ | ITGA2 | P17301 | 1/20 | 0.52 |
| ▸ | ITGA5 | P08648 | 5/20 | 0.51 |
| ▸ | NOS3 | P29474 | 1/20 | 0.48 |
| ▸ | NOS1 | P29475 | 1/20 | 0.48 |
| ▸ | NOS2 | P35228 | 1/20 | 0.48 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.48 |
| ▸ | ITGAV | P06756 | 1/20 | 0.48 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL14294531 | 0.93 | ITGB1 (0.54) | ITGB1ITGA4ITGB7ITGA2ITGA5 | |
| SCHEMBL4928013 | 0.90 | ITGB1 (0.54) | ITGB1ITGA4ITGB7ITGA2ITGA5 | |
| SCHEMBL7587810 | 0.88 | ITGB1 (0.50) | ITGB1ITGA4ITGB7ITGA2ITGA5 | |
| SCHEMBL7587816 | 0.88 | ITGB1 (0.50) | ITGB1ITGA4ITGB7ITGA2ITGA5 | |
| SCHEMBL5786216 | 0.88 | TSHR (0.57) | ITGB1ITGA4ITGB7ITGA2ITGA5 | |
| SCHEMBL8227052 | 0.88 | TSHR (0.57) | ITGB1ITGA4ITGB7ITGA2ITGA5 | |
| SCHEMBL3819618 | 0.88 | TSHR (0.57) | ITGB1ITGA4ITGB7ITGA2ITGA5 | |
| SCHEMBL13726463 | 0.88 | ATM (0.59) | ITGB1ITGA4ITGB7ITGA2NOS3 | |
| SCHEMBL297398 | 0.87 | ATM (0.61) | ITGB1ITGA4ITGB7ITGA2NOS3 | |
| SCHEMBL1324020 | 0.86 | ITGB1 (0.53) | ITGB1ITGA4ITGB7ITGA2ITGA5 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |