Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 18/20 | 0.45 |
| ▸ | ROCK1 | Q13464 | 5/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.39 |
| ▸ | EIF2S1 | P05198 | 1/20 | 0.38 |
| ▸ | EIF2AK3 | Q9NZJ5 | 1/20 | 0.38 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21767254 | 0.93 | ROCK2 (0.45) | ROCK2ROCK1CYP2C9CDC42BPA | |
| SCHEMBL21768815 | 0.92 | ROCK2 (0.47) | ROCK2ROCK1CYP2C9CDC42BPA | |
| SCHEMBL21768564 | 0.89 | ROCK2 (0.51) | ROCK2ROCK1CYP2C9CDC42BPA | |
| SCHEMBL21768562 | 0.88 | ROCK2 (0.55) | ROCK2ROCK1AAK1 | |
| SCHEMBL21768559 | 0.88 | ROCK2 (0.47) | ROCK2ROCK1AAK1 | |
| SCHEMBL21768021 | 0.84 | ROCK2 (0.59) | ROCK2ROCK1CYP2C9CDC42BPA | |
| SCHEMBL21768819 | 0.84 | ROCK2 (0.51) | ROCK2ROCK1CYP2C9CDC42BPA | |
| SCHEMBL21768814 | 0.83 | ROCK2 (0.49) | ROCK2ROCK1CYP2C9CDC42BPA | |
| SCHEMBL21768799 | 0.81 | ROCK2 (0.57) | ROCK2ROCK1CYP2C9CDC42BPAAAK1 | |
| SCHEMBL21767997 | 0.79 | ROCK2 (0.62) | ROCK2ROCK1CYP2C9CDC42BPA |
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 |