Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 8/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.45 |
| ▸ | CDC7 | O00311 | 1/20 | 0.45 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.45 |
| ▸ | AURKA | O14965 | 1/20 | 0.45 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.45 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.45 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.45 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.45 |
| ▸ | RAF1 | P04049 | 1/20 | 0.45 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.45 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.45 |
| ▸ | INSR | P06213 | 1/20 | 0.45 |
| ▸ | CDK1 | P06493 | 1/20 | 0.45 |
| ▸ | FES | P07332 | 1/20 | 0.45 |
| ▸ | CSF1R | P07333 | 1/20 | 0.45 |
| ▸ | LYN | P07948 | 1/20 | 0.45 |
| ▸ | MET | P08581 | 1/20 | 0.45 |
| ▸ | ROS1 | P08922 | 1/20 | 0.45 |
| ▸ | KIT | P10721 | 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 | |
|---|---|---|---|---|
| SCHEMBL4765307 | 0.89 | ROCK2 (0.63) | ROCK2CYP3A4CDC7CHEK1AURKA | |
| SCHEMBL5097084 | 0.89 | ROCK2 (0.58) | ROCK2CYP3A4CDC7CHEK1AURKA | |
| SCHEMBL4769909 | 0.86 | ROCK2 (0.47) | ROCK2CYP3A4CDC7CHEK1AURKA | |
| SCHEMBL4765301 | 0.79 | ROCK2 (0.57) | ROCK2CYP3A4CDC7CHEK1AURKA | |
| SCHEMBL4770061 | 0.79 | ROCK2 (0.53) | ROCK2CYP3A4CDC7CHEK1AURKA | |
| SCHEMBL4768178 | 0.78 | TBK1 (0.52) | ROCK2CYP3A4CDC7CHEK1AURKA | |
| SCHEMBL14176466 | 0.77 | ROCK2 (0.80) | ROCK2CYP3A4CDC7CHEK1AURKA | |
| SCHEMBL4775724 | 0.77 | ROCK2 (0.57) | ROCK2CYP3A4CDC7CHEK1AURKA | |
| SCHEMBL4768374 | 0.76 | ROCK2 (0.42) | ROCK2CYP3A4CDC7CHEK1AURKA | |
| SCHEMBL4774368 | 0.75 | ROCK2 (0.47) | ROCK2CYP3A4CDC7CHEK1AURKA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1751153-B1 | HETARYLOXY-SUBSTITUTED PHENYLAMINO PYRIMIDINES AS RHO KINASE INHIBITORS | BAYER HEALTHCARE AG (DE) | 2008-12-03 | — | — | EP | disclosed |