Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 18/20 | 0.68 |
| ▸ | ROCK2 | O75116 | 15/20 | 0.68 |
| ▸ | PARP1 | P09874 | 1/20 | 0.62 |
| ▸ | PRKACA | P17612 | 1/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 1/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
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 | 1.00 | ROCK1 (0.68) | ROCK1ROCK2PARP1PRKACAKDM4E | |
| Bromide SCHEMBL27619464 | 0.99 | ROCK1 (0.67) | ROCK1ROCK2PARP1PRKACAKDM4E | |
| SCHEMBL13357606 | 0.86 | ROCK1 (0.70) | ROCK1ROCK2PARP1PRKACAKDM4E | |
| SCHEMBL3257615 | 0.85 | ROCK1 (0.68) | ROCK1ROCK2PARP1PRKACAKDM4E | |
| SCHEMBL13357663 | 0.84 | ROCK1 (0.59) | ROCK1ROCK2 | |
| SCHEMBL13357625 | 0.83 | ROCK1 (0.66) | ROCK1ROCK2PARP1PRKACA | |
| SCHEMBL2752587 | 0.83 | ROCK1 (0.69) | ROCK1ROCK2PARP1PRKACALMNA | |
| SCHEMBL10253197 | 0.82 | ROCK1 (0.71) | ROCK1ROCK2PRKACALMNASMN1; SMN2 | |
| SCHEMBL2554763 | 0.81 | ROCK1 (1.00) | ROCK1ROCK2PARP1 | |
| SCHEMBL2559941 | 0.80 | ROCK1 (1.00) | ROCK1ROCK2PARP1 |
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 |