Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 20/20 | 0.68 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.48 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.47 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.47 |
| ▸ | PRKCG | P05129 | 1/20 | 0.47 |
| ▸ | PRKACA | P17612 | 1/20 | 0.47 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | AKT1 | P31749 | 1/20 | 0.47 |
| ▸ | GSK3A | P49840 | 1/20 | 0.47 |
| ▸ | GSK3B | P49841 | 1/20 | 0.47 |
| ▸ | PRKX | P51817 | 1/20 | 0.47 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.47 |
| ▸ | PRKG2 | Q13237 | 1/20 | 0.47 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.47 |
| ▸ | PRKG1 | Q13976 | 1/20 | 0.47 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.47 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.47 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.47 |
| ▸ | SGK2 | Q9HBY8 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL16344981 | 0.90 | ROCK2 (0.66) | ROCK2MAPK1 | |
| SCHEMBL18901205 | 0.84 | ROCK2 (0.77) | ROCK2ROCK1 | |
| SCHEMBL18901399 | 0.82 | ROCK2 (0.79) | ROCK2ROCK1RPS6KA5MAP4K4PRKCG | |
| SCHEMBL17783397 | 0.81 | ROCK2 (1.00) | ROCK2 | |
| SCHEMBL16344980 | 0.81 | ROCK2 (1.00) | ROCK2 | |
| SCHEMBL17783574 | 0.80 | ROCK2 (1.00) | ROCK2ROCK1 | |
| SCHEMBL18901199 | 0.80 | ROCK2 (0.69) | ROCK2 | |
| SCHEMBL16377296 | 0.78 | ROCK2 (0.64) | ROCK2GSK3BDYRK1ACLK4 | |
| SCHEMBL17783589 | 0.76 | ROCK2 (1.00) | ROCK2MAPK1 | |
| SCHEMBL17783487 | 0.75 | ROCK2 (1.00) | ROCK2ROCK1PRKACAGSK3AGSK3B |
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 |