Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 13/20 | 0.82 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.68 |
| ▸ | PRKACA | P17612 | 2/20 | 0.58 |
| ▸ | PRKX | P51817 | 2/20 | 0.58 |
| ▸ | PRKCQ | Q04759 | 2/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | GSK3A | P49840 | 1/20 | 0.58 |
| ▸ | GSK3B | P49841 | 1/20 | 0.58 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.58 |
| ▸ | AURKA | O14965 | 1/20 | 0.56 |
| ▸ | GRK5 | P34947 | 1/20 | 0.56 |
| ▸ | MMP13 | P45452 | 2/20 | 0.55 |
| ▸ | PARP1 | P09874 | 1/20 | 0.55 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL17783413 | 0.93 | ROCK2 (0.82) | ROCK2ROCK1PRKACAPRKXPRKCQ | |
| SCHEMBL17783468 | 0.91 | ROCK2 (1.00) | ROCK2ROCK1PRKACAPRKXPRKCQ | |
| SCHEMBL18901405 | 0.84 | ROCK2 (0.63) | ROCK2ROCK1PRKACAPRKXPRKCQ | |
| SCHEMBL16345515 | 0.81 | ROCK2 (0.82) | ROCK2ROCK1CSNK2A1 | |
| SCHEMBL16377330 | 0.81 | ROCK2 (1.00) | ROCK2ROCK1PRKACAPRKXPRKCQ | |
| SCHEMBL17783526 | 0.81 | ROCK2 (1.00) | ROCK2ROCK1PRKACAPRKXPRKCQ | |
| SCHEMBL16377315 | 0.80 | ROCK2 (1.00) | ROCK2ROCK1PRKACAPRKXPRKCQ | |
| SCHEMBL17783637 | 0.80 | ROCK2 (1.00) | ROCK2ROCK1PRKACAPRKXPRKCQ | |
| SCHEMBL16347521 | 0.79 | ROCK2 (1.00) | ROCK2ROCK1PRKACAPRKXPRKCQ | |
| SCHEMBL17783409 | 0.78 | ROCK2 (1.00) | ROCK2ROCK1PRKACAPRKXPRKCQ |
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 |
|---|---|---|---|---|---|---|---|
| EP-3016951-B1 | TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-05-31 | — | — | EP | disclosed |