Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 20/20 | 0.78 |
| ▸ | ROCK1 | Q13464 | 18/20 | 0.78 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.53 |
| ▸ | PRKACA | P17612 | 1/20 | 0.53 |
| ▸ | PRKACG | P22612 | 1/20 | 0.53 |
| ▸ | PRKACB | P22694 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL1649563 | 0.92 | ROCK2 (0.80) | ROCK2ROCK1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL1649783 | 0.91 | ROCK2 (0.81) | ROCK2ROCK1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL1647889 | 0.90 | ROCK2 (0.78) | ROCK2ROCK1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL1648513 | 0.87 | ROCK2 (1.00) | ROCK2ROCK1 | |
| SCHEMBL1648507 | 0.87 | ROCK2 (1.00) | ROCK2ROCK1CYP2C9CDC42BPAPRKACA | |
| SCHEMBL12779182 | 0.87 | ROCK2 (0.78) | ROCK2ROCK1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL1647773 | 0.86 | ROCK2 (0.84) | ROCK2ROCK1 | |
| SCHEMBL1648870 | 0.85 | ROCK2 (0.79) | ROCK2ROCK1CYP2C9CDC42BPAPRKACA | |
| SCHEMBL1647891 | 0.84 | ROCK2 (1.00) | ROCK2ROCK1PRKACAPRKACGPRKACB | |
| SCHEMBL1648814 | 0.82 | ROCK2 (1.00) | ROCK2ROCK1PRKACAPRKACGPRKACB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011050245-A1 | BICYCLIC HETEROARYLS AS KINASE INHIBITORS | FENG YANGBO (US) | 2011-04-28 | — | — | WO | disclosed |
| WO-2011050245-A1 | BICYCLIC HETEROARYLS AS KINASE INHIBITORS | FENG YANGBO (US) | 2011-04-28 | — | — | WO | disclosed |