Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 12/20 | 0.51 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.46 |
| ▸ | NOTUM | Q6P988 | 3/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.45 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.45 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.45 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.43 |
| ▸ | NEK2 | P51955 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL26131028 | 0.86 | HRH3 (0.48) | ROCK2GPR119 | |
| SCHEMBL26129775 | 0.85 | HRH3 (0.47) | ROCK2GPR119 | |
| SCHEMBL26132378 | 0.84 | BMPR1B (0.47) | ROCK2GPR119 | |
| SCHEMBL26127529 | 0.84 | ALDH1A1 (0.52) | ROCK2NOTUM | |
| SCHEMBL26128899 | 0.83 | ME3 (0.63) | ROCK2 | |
| SCHEMBL26130489 | 0.82 | NAMPT (0.50) | ROCK2 | |
| SCHEMBL30582744 | 0.82 | ROCK2 (0.54) | ROCK2 | |
| SCHEMBL26130045 | 0.82 | ROCK2 (0.54) | ROCK2 | |
| SCHEMBL26126188 | 0.81 | NAMPT (0.49) | ROCK2 | |
| SCHEMBL4921137 | 0.80 | USP2 (0.48) | ROCK2GPR119 |
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 | claimed |
| WO-2006136829-A2 | PYRAZOLE DERIVATIVES AND THEIR USE AS PKA AND PKB MODULATORS | ASTEX THERAPEUTICS LIMITED (GB) | 2006-12-28 | — | — | WO | claimed |