Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 12/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 6/20 | 0.43 |
| ▸ | IMPDH2 | P12268 | 3/20 | 0.40 |
| ▸ | CCR2 | P41597 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | AKT1 | P31749 | 1/20 | 0.38 |
| ▸ | PRMT3 | O60678 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3833703 | 0.94 | ROCK2 (0.42) | ROCK2ROCK1IMPDH2CCR2PRMT3 | |
| SCHEMBL3313248 | 0.82 | PRMT3 (0.40) | ROCK2ROCK1IMPDH2CYP3A4PRMT3 | |
| SCHEMBL3313256 | 0.82 | PRMT3 (0.40) | ROCK2ROCK1IMPDH2CYP3A4PRMT3 | |
| SCHEMBL3318830 | 0.80 | PRMT3 (0.41) | ROCK2ROCK1CCR2PRMT3 | |
| SCHEMBL3318835 | 0.80 | PRMT3 (0.41) | ROCK2ROCK1CCR2PRMT3 | |
| SCHEMBL3833348 | 0.78 | ROCK2 (0.43) | ROCK2ROCK1CCR2PRMT3 | |
| SCHEMBL3315427 | 0.77 | HRH3 (0.45) | ROCK2ROCK1IMPDH2CYP3A4PRMT3 | |
| SCHEMBL3315801 | 0.76 | ROCK2 (0.66) | ROCK2ROCK1CCR2 | |
| SCHEMBL3315847 | 0.76 | ROCK2 (0.66) | ROCK2ROCK1CCR2 | |
| SCHEMBL3315810 | 0.76 | ROCK2 (0.66) | ROCK2ROCK1CCR2 |
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-2114920-A1 | SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES | Sanofi-Aventis (FR) | 2009-11-11 | — | — | EP | disclosed |
| WO-2008077552-A1 | SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES | SANOFI-AVENTIS (FR) | 2008-07-03 | — | — | WO | disclosed |