Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 14/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 12/20 | 0.39 |
| ▸ | SGK1 | O00141 | 1/20 | 0.36 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.36 |
| ▸ | PDPK1 | O15530 | 3/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | CIT | O14578 | 1/20 | 0.34 |
| ▸ | MAP3K7 | O43318 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 0.34 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.34 |
| ▸ | RPS6KA4 | O75676 | 1/20 | 0.34 |
| ▸ | PRKCG | P05129 | 1/20 | 0.34 |
| ▸ | PRKCB | P05771 | 1/20 | 0.34 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.34 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | FLT3 | P36888 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13539068 | 0.83 | PDPK1 (0.39) | ROCK1CYP3A4PDPK1PIK3CACIT | |
| SCHEMBL13505143 | 0.82 | ROCK1 (0.41) | ROCK1CYP3A4SGK1CAMKK2PDPK1 | |
| SCHEMBL3348998 | 0.82 | CAMKK2 (0.43) | ROCK1CYP3A4SGK1CAMKK2CIT | |
| SCHEMBL13538985 | 0.79 | CDK2 (0.48) | ROCK1CYP3A4PDPK1JAK2PRKCG | |
| SCHEMBL3347662 | 0.76 | ROCK1 (0.37) | ROCK1CYP3A4SGK1CAMKK2JAK2 | |
| SCHEMBL3348310 | 0.75 | IL2 (0.39) | ROCK1CYP3A4SGK1CITJAK2 | |
| SCHEMBL8442733 | 0.75 | ROCK1 (0.43) | ROCK1CYP3A4CITJAK2MAPK1 | |
| SCHEMBL8442699 | 0.74 | HTR2C (0.48) | ROCK1CYP3A4JAK2FLT3GSK3B | |
| SCHEMBL8471584 | 0.71 | ROCK1 (0.38) | ROCK1CYP3A4SGK1CITJAK2 | |
| SCHEMBL13538989 | 0.71 | BRD4 (0.37) | PDPK1CDK2MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-7645769-B2 | Inhibitors of c-Jun N-terminal kinases for the treatment of neurodegenerative disorders relating to apoptosis and/or inflammation | EISAI R & D MANAGEMENT CO., LTD. (JP) | 2010-01-12 | — | — | US | disclosed |