Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 18/20 | 0.52 |
| ▸ | ROCK1 | Q13464 | 7/20 | 0.52 |
| ▸ | CDC42BPA | Q5VT25 | 3/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | PRKACA | P17612 | 1/20 | 0.47 |
| ▸ | PRKACG | P22612 | 1/20 | 0.47 |
| ▸ | PRKACB | P22694 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3245133 | 0.86 | ROCK2 (0.66) | ROCK2ROCK1PRKACAPRKACGPRKACB | |
| SCHEMBL3248264 | 0.85 | ROCK2 (0.62) | ROCK2ROCK1CDC42BPACYP2C9NPC1 | |
| SCHEMBL3248680 | 0.85 | ROCK2 (0.67) | ROCK2ROCK1CDC42BPACYP2C9CYP3A4 | |
| SCHEMBL3253611 | 0.84 | ROCK2 (0.61) | ROCK2ROCK1CDC42BPACYP2C9NPC1 | |
| SCHEMBL3244882 | 0.84 | ROCK2 (0.55) | ROCK2ROCK1CDC42BPACYP2C9NPC1 | |
| SCHEMBL3239731 | 0.84 | ROCK2 (0.60) | ROCK2ROCK1CDC42BPACYP2C9NPC1 | |
| SCHEMBL3252549 | 0.84 | ROCK2 (0.56) | ROCK2ROCK1CDC42BPACYP2C9NPC1 | |
| SCHEMBL3250079 | 0.83 | ROCK2 (0.55) | ROCK2ROCK1CDC42BPACYP2C9NPC1 | |
| SCHEMBL3248676 | 0.83 | ROCK2 (0.58) | ROCK2ROCK1CDC42BPACYP2C9NPC1 | |
| SCHEMBL3130739 | 0.82 | ROCK2 (0.51) | ROCK2ROCK1CDC42BPACYP2C9NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010036316-A1 | UREA AND CARBAMATE COMPOUNDS AND ANALOGS AS KINASE INHIBITORS | FENG YANGBO (US) | 2010-04-01 | — | — | WO | claimed |