Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 10/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.47 |
| ▸ | AURKA | O14965 | 3/20 | 0.41 |
| ▸ | CDC7 | O00311 | 1/20 | 0.41 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.41 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.41 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.41 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.41 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.41 |
| ▸ | RAF1 | P04049 | 1/20 | 0.41 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.41 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.41 |
| ▸ | INSR | P06213 | 1/20 | 0.41 |
| ▸ | CDK1 | P06493 | 1/20 | 0.41 |
| ▸ | FES | P07332 | 1/20 | 0.41 |
| ▸ | CSF1R | P07333 | 1/20 | 0.41 |
| ▸ | LYN | P07948 | 1/20 | 0.41 |
| ▸ | MET | P08581 | 1/20 | 0.41 |
| ▸ | ROS1 | P08922 | 1/20 | 0.41 |
| ▸ | KIT | P10721 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8272279 | 0.86 | ROCK2 (0.56) | ROCK2CYP3A4AURKACDC7CHEK1 | |
| SCHEMBL2887314 | 0.79 | ROCK2 (0.54) | ROCK2CYP3A4AURKACDC7CHEK1 | |
| SCHEMBL2886218 | 0.77 | ROCK2 (0.44) | ROCK2CYP3A4AURKACDC7CHEK1 | |
| SCHEMBL2881276 | 0.76 | ROCK2 (0.71) | ROCK2CYP3A4AURKACDC7CHEK1 | |
| SCHEMBL8270531 | 0.73 | ROCK2 (0.73) | ROCK2CYP3A4AURKACDC7CHEK1 | |
| SCHEMBL2884975 | 0.73 | ROCK2 (0.39) | ROCK2CYP3A4AURKACDC7CHEK1 | |
| SCHEMBL5097939 | 0.72 | ROCK2 (0.61) | ROCK2CYP3A4AURKACDC7CHEK1 | |
| SCHEMBL8283424 | 0.72 | ROCK2 (0.77) | ROCK2CYP3A4AURKACDC7CHEK1 | |
| SCHEMBL2887689 | 0.69 | ROCK2 (0.56) | ROCK2CYP3A4AURKACDC7CHEK1 | |
| SCHEMBL2881782 | 0.69 | ROCK2 (0.45) | ROCK2CYP3A4AURKACDC7CHEK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1742945-A1 | SUBSTITUTED PHENYLAMINO-PYRIMIDINES | Bayer HealthCare AG (DE) | 2007-01-17 | — | — | EP | disclosed |
| WO-2005108397-A1 | SUBSTITUTED PHENYLAMINO-PYRIMIDINES | BAYER HEALTHCARE AG (DE) | 2005-11-17 | — | — | WO | disclosed |