Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 15/20 | 0.59 |
| ▸ | ROCK2 | O75116 | 13/20 | 0.58 |
| ▸ | BLM | P54132 | 1/20 | 0.53 |
| ▸ | XIAP | P98170 | 1/20 | 0.51 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL3252039 | 0.84 | ROCK1 (0.68) | ROCK1ROCK2 | |
| SCHEMBL13357658 | 0.84 | ROCK1 (0.68) | ROCK1ROCK2 | |
| Bromide SCHEMBL27619464 | 0.83 | ROCK1 (0.67) | ROCK1ROCK2 | |
| SCHEMBL13357607 | 0.80 | ROCK2 (0.70) | ROCK1ROCK2BLM | |
| SCHEMBL13357581 | 0.79 | ROCK1 (0.60) | ROCK1ROCK2BLM | |
| SCHEMBL2557785 | 0.74 | ROCK1 (1.00) | ROCK1ROCK2 | |
| SCHEMBL12281965 | 0.74 | ROCK1 (0.63) | ROCK1ROCK2 | |
| SCHEMBL2561224 | 0.73 | ROCK2 (1.00) | ROCK1ROCK2 | |
| SCHEMBL14740347 | 0.73 | ROCK2 (1.00) | ROCK1ROCK2 | |
| SCHEMBL14738942 | 0.73 | ROCK2 (1.00) | ROCK1ROCK2 |
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-1558607-B1 | COMPOSITIONS USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES | VERTEX PHARMA (US) | 2010-05-05 | — | — | EP | disclosed |