Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 12/20 | 0.76 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.49 |
| ▸ | GPR142 | Q7Z601 | 1/20 | 0.46 |
| ▸ | MYLK4 | Q86YV6 | 2/20 | 0.45 |
| ▸ | CNR1 | P21554 | 1/20 | 0.45 |
| ▸ | CNR2 | P34972 | 1/20 | 0.45 |
| ▸ | AKT2 | P31751 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL16712958 | 0.86 | ROCK2 (1.00) | ROCK2ROCK1MYLK4AKT2 | |
| SCHEMBL1254733 | 0.83 | ROCK2 (0.74) | ROCK2ROCK1MYLK4 | |
| Acetic Acid SCHEMBL4661563 | 0.83 | ROCK2 (0.58) | ROCK2ROCK1 | |
| SCHEMBL4663469 | 0.80 | ROCK2 (0.57) | ROCK2ROCK1MYLK4 | |
| SCHEMBL4662776 | 0.80 | ROCK2 (0.57) | ROCK2ROCK1MYLK4CNR1 | |
| Hydrochloric Acid SCHEMBL4630396 | 0.79 | ROCK2 (0.61) | ROCK2ROCK1MYLK4 | |
| Hydrochloric Acid SCHEMBL4661648 | 0.79 | ROCK2 (0.61) | ROCK2ROCK1MYLK4 | |
| Acetic Acid SCHEMBL4661546 | 0.78 | ROCK2 (0.73) | ROCK2ROCK1MYLK4 | |
| SCHEMBL3809895 | 0.78 | ROCK2 (0.59) | ROCK2ROCK1MYLK4 | |
| SCHEMBL13457481 | 0.77 | ROCK2 (0.64) | ROCK2 |
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-1919875-A2 | PYRAZOLE DERIVATIVES AND THEIR USE AS PKA AND PKB MODULATORS | Astex Therapeutics Limited (GB) | 2008-05-14 | — | — | EP | disclosed |
| WO-2006136829-A2 | PYRAZOLE DERIVATIVES AND THEIR USE AS PKA AND PKB MODULATORS | ASTEX THERAPEUTICS LIMITED (GB) | 2006-12-28 | — | — | WO | disclosed |