Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CIT | O14578 | 11/20 | 0.67 |
| ▸ | ROCK2 | O75116 | 7/20 | 0.51 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.50 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | CDC42BPA | Q5VT25 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL21024927 | 0.87 | CIT (0.66) | CITROCK2ROCK1TNIKCYP2C9 | |
| SCHEMBL21768699 | 0.87 | CIT (0.52) | CITROCK2ROCK1CYP2C9CDC42BPA | |
| SCHEMBL21768656 | 0.80 | ROCK2 (0.65) | CITROCK2ROCK1CYP2C9CDC42BPA | |
| SCHEMBL21768020 | 0.79 | ROCK2 (0.66) | ROCK2ROCK1CYP2C9CDC42BPACYP3A4 | |
| SCHEMBL21767238 | 0.78 | ROCK2 (0.76) | ROCK2ROCK1CYP2C9CDC42BPACYP3A4 | |
| SCHEMBL3251718 | 0.77 | CIT (0.55) | CITROCK2ROCK1CYP2C9CDC42BPA | |
| SCHEMBL3243730 | 0.74 | ROCK2 (0.58) | CITROCK2ROCK1TNIKCYP2C9 | |
| SCHEMBL3248895 | 0.74 | ROCK2 (0.55) | CITROCK2ROCK1TNIKCYP2C9 | |
| SCHEMBL30135123 | 0.72 | CIT (0.61) | CITROCK2 | |
| SCHEMBL21768021 | 0.72 | ROCK2 (0.59) | ROCK2ROCK1CYP2C9CDC42BPACYP3A4 |
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 |