Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 14/20 | 1.00 |
| ▸ | ROCK1 | Q13464 | 8/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.57 |
| ▸ | PRKACA | P17612 | 3/20 | 0.57 |
| ▸ | NAMPT | P43490 | 2/20 | 0.56 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | GSK3A | P49840 | 1/20 | 0.55 |
| ▸ | GSK3B | P49841 | 1/20 | 0.55 |
| ▸ | PRKX | P51817 | 1/20 | 0.55 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.55 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.55 |
| ▸ | AURKA | O14965 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL3127521 | 0.87 | ROCK2 (1.00) | ROCK2ROCK1CYP3A4PRKACANAMPT | |
| SCHEMBL3127087 | 0.85 | ROCK2 (0.73) | ROCK2ROCK1NAMPT | |
| SCHEMBL3120901 | 0.84 | ROCK2 (1.00) | ROCK2ROCK1NAMPTHIF1A | |
| SCHEMBL21768820 | 0.82 | ROCK2 (0.69) | ROCK2ROCK1CYP3A4PRKACACYP2D6 | |
| SCHEMBL3249431 | 0.79 | ROCK2 (1.00) | ROCK2ROCK1NAMPTCYP2C9 | |
| SCHEMBL21768656 | 0.79 | ROCK2 (0.65) | ROCK2ROCK1CYP3A4PRKACACYP2D6 | |
| SCHEMBL1492960 | 0.79 | CNR1 (0.66) | ROCK2ROCK1CYP3A4 | |
| SCHEMBL3246062 | 0.78 | ROCK2 (0.70) | ROCK2ROCK1CYP3A4PRKACANAMPT | |
| SCHEMBL29804102 | 0.77 | ROCK2 (0.64) | ROCK2ROCK1CYP3A4PRKACANAMPT | |
| SCHEMBL28571017 | 0.77 | ROCK2 (0.64) | ROCK2ROCK1CYP3A4PRKACANAMPT |
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 |