Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 19/20 | 0.50 |
| ▸ | ROCK1 | Q13464 | 7/20 | 0.46 |
| ▸ | CDC42BPA | Q5VT25 | 4/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21768739 | 0.91 | ROCK2 (0.50) | ROCK2ROCK1CDC42BPACYP2C9CYP3A4 | |
| SCHEMBL21768563 | 0.89 | ROCK2 (0.60) | ROCK2ROCK1CDC42BPACYP2C9CYP3A4 | |
| SCHEMBL21767244 | 0.88 | ROCK2 (0.46) | ROCK2ROCK1CDC42BPACYP2C9 | |
| SCHEMBL21768815 | 0.87 | ROCK2 (0.47) | ROCK2ROCK1CDC42BPACYP2C9CYP3A4 | |
| SCHEMBL21768542 | 0.79 | ROCK2 (0.55) | ROCK2ROCK1 | |
| SCHEMBL21767254 | 0.79 | ROCK2 (0.45) | ROCK2ROCK1CDC42BPACYP2C9 | |
| SCHEMBL21768580 | 0.79 | ROCK2 (0.45) | ROCK2ROCK1CDC42BPACYP2C9 | |
| SCHEMBL21768564 | 0.78 | ROCK2 (0.51) | ROCK2ROCK1CDC42BPACYP2C9CYP3A4 | |
| SCHEMBL21767260 | 0.76 | ROCK2 (0.60) | ROCK2ROCK1CDC42BPACYP2C9 | |
| SCHEMBL21768559 | 0.76 | ROCK2 (0.47) | ROCK2ROCK1 |
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 |