Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 15/20 | 0.55 |
| ▸ | ROCK1 | Q13464 | 7/20 | 0.55 |
| ▸ | MYLK4 | Q86YV6 | 4/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL21767249 | 0.85 | ROCK2 (0.47) | ROCK2ROCK1 | |
| SCHEMBL21769086 | 0.84 | ROCK1 (0.62) | ROCK2ROCK1MYLK4 | |
| SCHEMBL21768558 | 0.76 | ROCK2 (0.61) | ROCK2ROCK1MYLK4 | |
| SCHEMBL21768572 | 0.74 | ROCK2 (0.61) | ROCK2ROCK1MYLK4 | |
| SCHEMBL3124743 | 0.74 | ROCK2 (0.76) | ROCK2ROCK1MYLK4 | |
| SCHEMBL20867663 | 0.72 | ROCK2 (1.00) | ROCK2ROCK1MYLK4 | |
| SCHEMBL3240977 | 0.72 | ROCK2 (0.75) | ROCK2ROCK1MYLK4 | |
| SCHEMBL19661755 | 0.71 | ROCK2 (0.69) | ROCK2ROCK1MYLK4 | |
| SCHEMBL21768016 | 0.71 | ROCK2 (0.51) | ROCK2ROCK1 | |
| SCHEMBL3238860 | 0.71 | ROCK2 (1.00) | ROCK2ROCK1MYLK4 |
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-3464262-B1 | TRIAZOLONES AND TETRAZOLONES AS INHIBITORS OF ROCK | BRISTOL MYERS SQUIBB CO (US) | 2020-02-26 | — | — | EP | disclosed |