Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 16/20 | 0.57 |
| ▸ | CNR1 | P21554 | 1/20 | 0.49 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.44 |
| ▸ | MYLK4 | Q86YV6 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4663469 | 0.83 | ROCK2 (0.57) | ROCK2ROCK1MYLK4 | |
| Acetic Acid SCHEMBL4661563 | 0.80 | ROCK2 (0.58) | ROCK2ROCK1 | |
| SCHEMBL4662575 | 0.80 | ROCK2 (0.76) | ROCK2CNR1ROCK1MYLK4 | |
| 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 | |
| SCHEMBL4661733 | 0.76 | ROCK2 (0.57) | ROCK2ROCK1 | |
| Hydrochloric Acid SCHEMBL4661860 | 0.75 | KDM4E (0.58) | ROCK2 | |
| SCHEMBL16712958 | 0.73 | ROCK2 (1.00) | ROCK2ROCK1MYLK4 | |
| SCHEMBL4661789 | 0.71 | ROCK2 (0.49) | ROCK2ROCK1 |
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 4 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 | claimed |
| WO-2006136829-A2 | PYRAZOLE DERIVATIVES AND THEIR USE AS PKA AND PKB MODULATORS | ASTEX THERAPEUTICS LIMITED (GB) | 2006-12-28 | — | — | WO | claimed |
| 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 |