Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 15/20 | 0.65 |
| ▸ | ROCK1 | Q13464 | 8/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.52 |
| ▸ | PRKACA | P17612 | 2/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.51 |
| ▸ | CDC42BPA | Q5VT25 | 3/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.48 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.44 |
| ▸ | CIT | O14578 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL21768820 | 0.86 | ROCK2 (0.69) | ROCK2ROCK1CYP3A4PRKACACYP2C9 | |
| SCHEMBL21768020 | 0.86 | ROCK2 (0.66) | ROCK2ROCK1CYP3A4CYP2C9CDC42BPA | |
| SCHEMBL21767238 | 0.81 | ROCK2 (0.76) | ROCK2ROCK1CYP3A4CYP2C9CDC42BPA | |
| SCHEMBL21768679 | 0.80 | CIT (0.67) | ROCK2ROCK1CYP3A4CYP2C9CDC42BPA | |
| SCHEMBL3132012 | 0.79 | ROCK2 (1.00) | ROCK2ROCK1CYP3A4PRKACACYP2C9 | |
| SCHEMBL21768699 | 0.78 | CIT (0.52) | ROCK2ROCK1CYP3A4CYP2C9CDC42BPA | |
| SCHEMBL19661588 | 0.73 | ROCK2 (0.73) | ROCK2ROCK1CYP3A4CYP2C9CDC42BPA | |
| SCHEMBL21768570 | 0.72 | ROCK2 (0.72) | ROCK2ROCK1CYP3A4CYP2C9CDC42BPA | |
| SCHEMBL21768021 | 0.72 | ROCK2 (0.59) | ROCK2ROCK1CYP3A4CYP2C9CDC42BPA | |
| SCHEMBL2185368 | 0.70 | PSEN1 (0.76) | ROCK2ROCK1CYP3A4PRKACACYP2D6 |
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 |