Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 5/20 | 0.71 |
| ▸ | MAPKAPK2 | P49137 | 2/20 | 0.69 |
| ▸ | ROCK2 | O75116 | 6/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | KDR | P35968 | 7/20 | 0.52 |
| ▸ | IGF1R | P08069 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL13288551 | 0.87 | ROCK1 (0.75) | ROCK1MAPKAPK2ROCK2CYP3A4KDR | |
| SCHEMBL2876588 | 0.85 | ROCK1 (0.73) | ROCK1MAPKAPK2ROCK2CYP3A4 | |
| SCHEMBL8320445 | 0.85 | ROCK1 (0.73) | ROCK1MAPKAPK2ROCK2CYP3A4KDR | |
| SCHEMBL2880011 | 0.83 | ROCK1 (1.00) | ROCK1MAPKAPK2ROCK2CYP3A4 | |
| SCHEMBL20783989 | 0.82 | MAPKAPK2 (1.00) | ROCK1MAPKAPK2ROCK2KDRIGF1R | |
| SCHEMBL2883920 | 0.82 | ROCK1 (0.85) | ROCK1MAPKAPK2ROCK2CYP3A4 | |
| SCHEMBL8328328 | 0.82 | ROCK1 (0.85) | ROCK1MAPKAPK2ROCK2CYP3A4KDR | |
| SCHEMBL13288476 | 0.81 | ROCK1 (0.82) | ROCK1MAPKAPK2ROCK2CYP3A4 | |
| SCHEMBL13288570 | 0.81 | ROCK1 (0.64) | ROCK1MAPKAPK2ROCK2CYP3A4KDR | |
| SCHEMBL2881723 | 0.81 | ROCK1 (0.66) | ROCK1MAPKAPK2ROCK2CYP3A4KDR |
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 |