Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 11/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | MET | P08581 | 9/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13288417 | 0.85 | ROCK2 (0.59) | ROCK2CYP3A4MET | |
| SCHEMBL2880063 | 0.81 | ROCK2 (0.64) | ROCK2CYP3A4MET | |
| SCHEMBL13288413 | 0.81 | ROCK2 (0.67) | ROCK2CYP3A4MET | |
| SCHEMBL2882194 | 0.79 | ROCK2 (0.71) | ROCK2CYP3A4MET | |
| SCHEMBL8333094 | 0.77 | ROCK2 (0.86) | ROCK2CYP3A4MET | |
| SCHEMBL13288581 | 0.75 | ROCK2 (0.78) | ROCK2CYP3A4MET | |
| SCHEMBL8328850 | 0.75 | ROCK2 (1.00) | ROCK2CYP3A4MET | |
| SCHEMBL13288587 | 0.75 | ROCK2 (0.75) | ROCK2CYP3A4MET | |
| SCHEMBL8328350 | 0.75 | ROCK2 (1.00) | ROCK2CYP3A4MET | |
| SCHEMBL8326053 | 0.75 | ROCK2 (0.68) | ROCK2CYP3A4MET |
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-1562935-B1 | HETEROARYLOXY-SUBSTITUTED PHENYLAMINOPYRIMIDINES AS RHO-KINASE INHIBITORS | BAYER HEALTHCARE AG (DE) | 2006-09-06 | — | — | EP | disclosed |
| EP-1562935-A1 | HETEROARYLOXY-SUBSTITUTED PHENYLAMINOPYRIMIDINES AS RHO-KINASE INHIBITORS | Bayer HealthCare AG (DE) | 2005-08-17 | — | — | EP | disclosed |
| WO-2004039796-A1 | HETEROARYLOXY-SUBSTITUTED PHENYLAMINOPYRIMIDINES AS RHO-KINASE INHIBITORS | BAYER HEALTHCARE AG (DE) | 2004-05-13 | — | — | WO | disclosed |