Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 19/20 | 0.62 |
| ▸ | ROCK2 | O75116 | 16/20 | 0.62 |
| ▸ | PRKACA | P17612 | 1/20 | 0.56 |
| ▸ | PARP1 | P09874 | 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 | |
|---|---|---|---|---|
| SCHEMBL3254745 | 1.00 | ROCK1 (0.62) | ROCK1ROCK2PRKACAPARP1 | |
| SCHEMBL3253712 | 0.83 | ROCK1 (0.54) | ROCK1ROCK2PRKACA | |
| SCHEMBL13357606 | 0.80 | ROCK1 (0.70) | ROCK1ROCK2PRKACAPARP1 | |
| SCHEMBL13357658 | 0.79 | ROCK1 (0.68) | ROCK1ROCK2PRKACAPARP1 | |
| SCHEMBL3257615 | 0.79 | ROCK1 (0.68) | ROCK1ROCK2PRKACAPARP1 | |
| SCHEMBL3252039 | 0.79 | ROCK1 (0.68) | ROCK1ROCK2PRKACAPARP1 | |
| SCHEMBL3255984 | 0.79 | ROCK1 (0.58) | ROCK1ROCK2PRKACA | |
| SCHEMBL10253197 | 0.79 | ROCK1 (0.71) | ROCK1ROCK2PRKACA | |
| Bromide SCHEMBL27619464 | 0.78 | ROCK1 (0.67) | ROCK1ROCK2PRKACAPARP1 | |
| SCHEMBL2752587 | 0.77 | ROCK1 (0.69) | ROCK1ROCK2PRKACAPARP1 |
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 |