Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.58 |
| ▸ | ROCK2 | O75116 | 9/20 | 0.55 |
| ▸ | ROCK1 | Q13464 | 7/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.52 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | PORCN | Q9H237 | 1/20 | 0.45 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.44 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.44 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.44 |
| ▸ | CDK1 | P06493 | 1/20 | 0.44 |
| ▸ | CSF1R | P07333 | 1/20 | 0.44 |
| ▸ | PRKACA | P17612 | 1/20 | 0.44 |
| ▸ | FLT1 | P17948 | 1/20 | 0.44 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.44 |
| ▸ | CDK2 | P24941 | 1/20 | 0.44 |
| ▸ | AKT1 | P31749 | 1/20 | 0.44 |
| ▸ | FLT4 | P35916 | 1/20 | 0.44 |
| ▸ | KDR | P35968 | 1/20 | 0.44 |
| ▸ | FLT3 | P36888 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27723730 | 1.00 | MAPK1 (0.58) | MAPK1ROCK2ROCK1CYP3A4CYP3A5 | |
| SCHEMBL4531077 | 0.78 | HSD17B10 (0.70) | MAPK1ROCK2ROCK1CYP3A4CYP3A5 | |
| SCHEMBL4519247 | 0.78 | HSD17B10 (0.70) | MAPK1ROCK2ROCK1CYP3A4CYP3A5 | |
| SCHEMBL15140688 | 0.77 | PORCN (0.64) | ROCK2ROCK1PORCNMEN1ALDH1A1 | |
| SCHEMBL28286785 | 0.77 | ROCK2 (0.65) | ROCK2ROCK1CYP3A4CYP3A5TAAR1 | |
| SCHEMBL10259736 | 0.77 | ROCK2 (0.62) | MAPK1ROCK2ROCK1CYP3A4CYP3A5 | |
| SCHEMBL10259303 | 0.77 | ROCK2 (0.62) | MAPK1ROCK2ROCK1CYP3A4CYP3A5 | |
| SCHEMBL4631479 | 0.75 | ROCK2 (0.62) | ROCK2ROCK1TAAR1NAMPTLMNA | |
| SCHEMBL15141127 | 0.75 | ROCK2 (0.67) | MAPK1ROCK2ROCK1CYP3A4CYP3A5 | |
| SCHEMBL4525223 | 0.73 | ROCK1 (0.65) | MAPK1ROCK2ROCK1CYP3A4CYP3A5 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101253152-A | Amide derivatives as ROCK inhibitors | ASTELLAS PHARMA INC (JP) | 2008-08-27 | — | — | CN | disclosed |