Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 2/20 | 0.71 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.52 |
| ▸ | AGPAT2 | O15120 | 3/20 | 0.49 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 2/20 | 0.42 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.41 |
| ▸ | CDC7 | O00311 | 1/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.40 |
| ▸ | SMO | Q99835 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8325985 | 0.91 | ROCK1 (0.66) | ROCK1ROCK2AGPAT2MAPKAPK2KDR | |
| SCHEMBL8328328 | 0.91 | ROCK1 (0.85) | ROCK1ROCK2AGPAT2MAPKAPK2KDR | |
| SCHEMBL13288434 | 0.90 | ROCK1 (0.81) | ROCK1ROCK2AGPAT2MAPKAPK2KDR | |
| SCHEMBL13288482 | 0.89 | ROCK1 (0.63) | ROCK1ROCK2AGPAT2MAPKAPK2KDR | |
| SCHEMBL8326979 | 0.87 | ROCK1 (0.63) | ROCK1ROCK2AGPAT2MAPKAPK2KDR | |
| SCHEMBL8323576 | 0.85 | ROCK1 (0.61) | ROCK1ROCK2AGPAT2MAPKAPK2PIK3CA | |
| SCHEMBL13288483 | 0.85 | ROCK1 (0.61) | ROCK1ROCK2AGPAT2MAPKAPK2PIK3CA | |
| SCHEMBL13288436 | 0.85 | ROCK1 (0.59) | ROCK1ROCK2AGPAT2MAPKAPK2KDR | |
| SCHEMBL13288470 | 0.84 | ROCK1 (0.82) | ROCK1ROCK2AGPAT2MAPKAPK2KDR | |
| SCHEMBL8327731 | 0.84 | PDPK1 (0.53) | ROCK1ROCK2AGPAT2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-7737153-B2 | Heteroaryloxy-substituted phenylaminopyrimidines as rho-kinase inhibitors | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2010-06-15 | — | — | US | disclosed |
| US-7737153-B2 | Heteroaryloxy-substituted phenylaminopyrimidines as rho-kinase inhibitors | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2010-06-15 | — | — | US | disclosed |
| WO-2004039796-A1 | HETEROARYLOXY-SUBSTITUTED PHENYLAMINOPYRIMIDINES AS RHO-KINASE INHIBITORS | BAYER HEALTHCARE AG (DE) | 2004-05-13 | — | — | WO | disclosed |