Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 15/20 | 0.51 |
| ▸ | ROCK1 | Q13464 | 12/20 | 0.51 |
| ▸ | CDC42BPA | Q5VT25 | 2/20 | 0.46 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.46 |
| ▸ | PRKACA | P17612 | 2/20 | 0.45 |
| ▸ | PRKACG | P22612 | 1/20 | 0.45 |
| ▸ | PRKACB | P22694 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.44 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.44 |
| ▸ | SLC2A4 | P14672 | 1/20 | 0.44 |
| ▸ | AURKA | O14965 | 1/20 | 0.42 |
| ▸ | GSK3A | P49840 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | PRKX | P51817 | 1/20 | 0.41 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 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 | |
|---|---|---|---|---|
| SCHEMBL1648809 | 0.89 | ROCK2 (0.52) | ROCK2ROCK1CDC42BPAMAPK10PRKACA | |
| SCHEMBL1647881 | 0.88 | ROCK2 (0.63) | ROCK2ROCK1CDC42BPAMAPK10PRKACA | |
| SCHEMBL1649570 | 0.81 | ROCK2 (0.51) | ROCK2ROCK1CDC42BPAMAPK10PRKACA | |
| SCHEMBL1649558 | 0.79 | AURKA (0.63) | ROCK2ROCK1PRKACACYP3A4CYP2D6 | |
| SCHEMBL1648990 | 0.77 | ROCK2 (0.48) | ROCK2ROCK1CDC42BPAMAPK10PRKACA | |
| SCHEMBL1648855 | 0.77 | ROCK2 (0.65) | ROCK2ROCK1CDC42BPAMAPK10PRKACA | |
| SCHEMBL13457305 | 0.75 | ROCK2 (0.78) | ROCK2ROCK1CDC42BPAMAPK10PRKACA | |
| SCHEMBL1648081 | 0.75 | ROCK2 (0.55) | ROCK2ROCK1CDC42BPAMAPK10PRKACA | |
| SCHEMBL18254798 | 0.72 | ROCK1 (0.64) | ROCK2ROCK1CDC42BPAMAPK10PRKACA | |
| SCHEMBL25719003 | 0.72 | ROCK2 (0.71) | ROCK2ROCK1PRKACACYP3A4CYP2D6 |
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 |