Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 19/20 | 0.77 |
| ▸ | ROCK1 | Q13464 | 8/20 | 0.55 |
| ▸ | CDC42BPA | Q5VT25 | 4/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL3247938 | 0.88 | ROCK2 (0.75) | ROCK2ROCK1CDC42BPACYP2C9CYP3A4 | |
| SCHEMBL3249432 | 0.87 | ROCK2 (1.00) | ROCK2ROCK1CDC42BPACYP2C9CYP3A4 | |
| SCHEMBL21767997 | 0.83 | ROCK2 (0.62) | ROCK2ROCK1CDC42BPACYP2C9CYP3A4 | |
| SCHEMBL3245074 | 0.82 | ROCK2 (0.78) | ROCK2ROCK1CDC42BPACYP2C9CYP3A4 | |
| SCHEMBL21768565 | 0.82 | ROCK2 (0.63) | ROCK2ROCK1CDC42BPACYP2C9CYP3A4 | |
| SCHEMBL21768019 | 0.80 | ROCK2 (0.59) | ROCK2ROCK1CDC42BPACYP2C9CYP3A4 | |
| SCHEMBL3246090 | 0.80 | ROCK2 (0.78) | ROCK2ROCK1CDC42BPACYP2C9CYP3A4 | |
| SCHEMBL3125123 | 0.80 | ROCK2 (0.51) | ROCK2ROCK1CDC42BPA | |
| SCHEMBL3119232 | 0.79 | ROCK2 (0.49) | ROCK2ROCK1NTRK1 | |
| SCHEMBL3248295 | 0.77 | ROCK2 (0.51) | ROCK2ROCK1CDC42BPA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010036316-A1 | UREA AND CARBAMATE COMPOUNDS AND ANALOGS AS KINASE INHIBITORS | FENG YANGBO (US) | 2010-04-01 | — | — | WO | claimed |
| WO-2010036316-A1 | UREA AND CARBAMATE COMPOUNDS AND ANALOGS AS KINASE INHIBITORS | FENG YANGBO (US) | 2010-04-01 | — | — | WO | disclosed |