Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 19/20 | 1.00 |
| ▸ | ROCK1 | Q13464 | 15/20 | 1.00 |
| ▸ | PRKACA | P17612 | 2/20 | 0.64 |
| ▸ | PRKACG | P22612 | 2/20 | 0.64 |
| ▸ | PRKACB | P22694 | 2/20 | 0.64 |
| ▸ | CDC42BPA | Q5VT25 | 2/20 | 0.60 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL12779736 | 0.89 | ROCK2 (0.80) | ROCK2ROCK1PRKACAPRKACGPRKACB | |
| SCHEMBL12779204 | 0.88 | ROCK2 (0.79) | ROCK2ROCK1PRKACAPRKACGPRKACB | |
| SCHEMBL1647889 | 0.88 | ROCK2 (0.78) | ROCK2ROCK1PRKACAPRKACGPRKACB | |
| SCHEMBL1648748 | 0.88 | ROCK2 (0.83) | ROCK2ROCK1PRKACAPRKACGPRKACB | |
| SCHEMBL1649561 | 0.87 | ROCK2 (1.00) | ROCK2ROCK1PRKACAPRKACGPRKACB | |
| SCHEMBL1647875 | 0.86 | ROCK2 (1.00) | ROCK2ROCK1PRKACAPRKACGPRKACB | |
| SCHEMBL12779346 | 0.86 | ROCK2 (0.80) | ROCK2ROCK1PRKACAPRKACGPRKACB | |
| SCHEMBL1649563 | 0.83 | ROCK2 (0.80) | ROCK2ROCK1PRKACAPRKACGPRKACB | |
| SCHEMBL12779734 | 0.82 | ROCK2 (0.79) | ROCK2ROCK1PRKACAPRKACGPRKACB | |
| SCHEMBL13457101 | 0.81 | ROCK2 (0.91) | 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 |