Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 19/20 | 0.62 |
| ▸ | ROCK1 | Q13464 | 13/20 | 0.62 |
| ▸ | PRKACA | P17612 | 1/20 | 0.61 |
| ▸ | PRKACG | P22612 | 1/20 | 0.61 |
| ▸ | PRKACB | P22694 | 1/20 | 0.61 |
| ▸ | CDC42BPA | Q5VT25 | 3/20 | 0.60 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL1648234 | 0.89 | ROCK2 (0.65) | ROCK2ROCK1PRKACAPRKACGPRKACB | |
| SCHEMBL1647581 | 0.89 | ROCK2 (0.64) | ROCK2ROCK1PRKACAPRKACGPRKACB | |
| SCHEMBL1649570 | 0.88 | ROCK2 (0.51) | ROCK2ROCK1PRKACAPRKACGPRKACB | |
| SCHEMBL1647881 | 0.83 | ROCK2 (0.63) | ROCK2ROCK1PRKACAPRKACGPRKACB | |
| SCHEMBL1648864 | 0.79 | ROCK2 (0.62) | ROCK2ROCK1PRKACAPRKACGPRKACB | |
| SCHEMBL12779491 | 0.78 | ROCK2 (0.57) | ROCK2ROCK1PRKACAPRKACGPRKACB | |
| SCHEMBL1648855 | 0.77 | ROCK2 (0.65) | ROCK2ROCK1PRKACAPRKACGPRKACB | |
| SCHEMBL1647243 | 0.76 | ROCK2 (1.00) | ROCK2ROCK1PRKACAPRKACGPRKACB | |
| SCHEMBL1648903 | 0.76 | PRKACA (1.00) | ROCK2ROCK1PRKACAPRKACGPRKACB | |
| SCHEMBL12780271 | 0.76 | ROCK2 (0.47) | ROCK2ROCK1CDC42BPACYP3A4CYP2D6 |
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 |