Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ITGA4 | P13612 | 7/20 | 0.35 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.35 |
| ▸ | CTSA | P10619 | 4/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | INSR | P06213 | 1/20 | 0.33 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6165109 | 0.91 | ITGB1 (0.41) | TP53MAPTITGA4ITGB1GAA | |
| SCHEMBL6163902 | 0.91 | JAK2 (0.41) | ITGA4ITGB1INSRALK | |
| SCHEMBL6165563 | 0.86 | MAPT (0.39) | TP53MAPTITGA4ITGB1GAA | |
| SCHEMBL6164434 | 0.85 | TP53 (0.38) | TP53MAPTITGA4ITGB1CTSA | |
| SCHEMBL6161757 | 0.84 | ITGA4 (0.40) | TP53MAPTITGA4ITGB1 | |
| SCHEMBL6164207 | 0.83 | ITGA4 (0.38) | ITGA4ITGB1 | |
| SCHEMBL6161780 | 0.83 | NPC1 (0.40) | ITGA4ITGB1RAB9A | |
| SCHEMBL6163641 | 0.83 | FFAR1 (0.39) | TP53ITGA4ITGB1 | |
| SCHEMBL6164652 | 0.83 | MAPT (0.41) | MAPTGAARAB9A | |
| SCHEMBL6162500 | 0.82 | ITGA4 (0.46) | TP53ITGA4ITGB1ALK |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1183254-B1 | SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS AS INTEGRIN ANTAGONISTS | AVENTIS PHARMA LTD (GB) | 2005-01-12 | — | — | EP | disclosed |
| EP-1183254-A1 | SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS AS INTEGRIN ANTAGONISTS | Aventis Pharma Limited (GB) | 2002-03-06 | — | — | EP | disclosed |
| WO-2000061580-A1 | SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS AS INTEGRIN ANTAGONISTS | AVENTIS PHARMA LIMITED (GB) | 2000-10-19 | — | — | WO | disclosed |