Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 15/20 | 0.46 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.45 |
| ▸ | BRD4 | O60885 | 2/20 | 0.41 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.41 |
| ▸ | GPR119 | Q8TDV5 | 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 | |
|---|---|---|---|---|
| SCHEMBL4661555 | 0.79 | HRH3 (0.50) | ROCK2MAP4K1HRH3GPR119 | |
| SCHEMBL26130746 | 0.77 | HRH3 (0.54) | ROCK2MAP4K1HRH3GPR119 | |
| SCHEMBL15492542 | 0.74 | SLC18A3 (0.51) | HRH3 | |
| SCHEMBL6694502 | 0.74 | NOS1 (0.46) | — | |
| SCHEMBL4921137 | 0.74 | USP2 (0.48) | ROCK2HRH3GPR119 | |
| SCHEMBL26127646 | 0.73 | HRH3 (0.47) | ROCK2MAP4K1HRH3GPR119 | |
| SCHEMBL31402498 | 0.73 | ROCK2 (0.46) | ROCK2MAP4K1HRH3GPR119 | |
| SCHEMBL4660575 | 0.71 | AKT2 (0.49) | ROCK2MAP4K1HRH3 | |
| Hydrochloric Acid SCHEMBL26130046 | 0.70 | AKT2 (0.48) | ROCK2MAP4K1HRH3 | |
| SCHEMBL22324840 | 0.70 | SLC18A3 (0.52) | 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 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 |