Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 2/20 | 0.47 |
| ▸ | BRD4 | O60885 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | EGLN1 | Q9GZT9 | 6/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | EP300 | Q09472 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | CCR3 | P51677 | 1/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 4/20 | 0.33 |
| ▸ | PDE4A | P27815 | 3/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2571400 | 0.89 | ROCK1 (0.46) | ROCK1HRH1CCR3 | |
| SCHEMBL8938601 | 0.88 | ROCK1 (0.50) | ROCK1BRD4KDM4EALDH1A1HTT | |
| SCHEMBL8938587 | 0.85 | EPHX2 (0.37) | ROCK1EGLN1SCN9APDE4DPDE4A | |
| SCHEMBL8938597 | 0.84 | ROCK1 (0.45) | ROCK1BRD4KDM4EALDH1A1HTT | |
| SCHEMBL2569182 | 0.83 | HRH3 (0.45) | ROCK1HRH1CCR3 | |
| SCHEMBL3222599 | 0.78 | ROCK1 (0.57) | ROCK1HRH1CCR3PDE4B | |
| SCHEMBL8935558 | 0.77 | ROCK1 (0.41) | ROCK1KDM4EALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL8938507 | 0.76 | ROCK1 (0.76) | ROCK1 | |
| SCHEMBL8934405 | 0.76 | ROCK1 (0.49) | ROCK1HRH1CCR3 | |
| SCHEMBL8938665 | 0.76 | ROCK1 (0.44) | ROCK1BRD4KDM4EALDH1A1EP300 |
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-8188117-B2 | Piperidinyl-substituted isoquinolone derivatives | SANOFI-AVENTIS (FR) | 2012-05-29 | — | — | US | disclosed |