Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 19/20 | 0.82 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.82 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.51 |
| ▸ | CDC7 | O00311 | 1/20 | 0.51 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.51 |
| ▸ | AURKA | O14965 | 1/20 | 0.51 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.51 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.51 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.51 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.51 |
| ▸ | RAF1 | P04049 | 1/20 | 0.51 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.51 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.51 |
| ▸ | INSR | P06213 | 1/20 | 0.51 |
| ▸ | CDK1 | P06493 | 1/20 | 0.51 |
| ▸ | FES | P07332 | 1/20 | 0.51 |
| ▸ | CSF1R | P07333 | 1/20 | 0.51 |
| ▸ | LYN | P07948 | 1/20 | 0.51 |
| ▸ | MET | P08581 | 1/20 | 0.51 |
| ▸ | ROS1 | P08922 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL8322600 | 0.93 | ROCK2 (0.70) | ROCK2CYP3A4ROCK1CDC7CHEK1 | |
| SCHEMBL2880069 | 0.90 | ROCK2 (1.00) | ROCK2CYP3A4ROCK1MET | |
| SCHEMBL13295217 | 0.85 | ROCK2 (0.80) | ROCK2CYP3A4ROCK1CDC7CHEK1 | |
| SCHEMBL2881172 | 0.85 | ROCK2 (0.80) | ROCK2CYP3A4ROCK1CDC7CHEK1 | |
| SCHEMBL2879936 | 0.84 | ROCK2 (0.71) | ROCK2CYP3A4ROCK1MET | |
| SCHEMBL2882221 | 0.83 | ROCK2 (0.86) | ROCK2CYP3A4MET | |
| SCHEMBL8271611 | 0.80 | ROCK2 (0.71) | ROCK2CYP3A4ROCK1 | |
| SCHEMBL8333413 | 0.79 | ROCK2 (0.80) | ROCK2CYP3A4MET | |
| SCHEMBL2881732 | 0.77 | ROCK2 (0.53) | ROCK2CYP3A4MET | |
| SCHEMBL13295330 | 0.77 | ROCK2 (0.81) | 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 |
|---|---|---|---|---|---|---|---|
| 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 |