Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 14/20 | 0.61 |
| ▸ | ROCK1 | Q13464 | 9/20 | 0.51 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | PRKACA | P17612 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL19643644 | 0.82 | ROCK2 (0.60) | ROCK2ROCK1DYRK1ACYP3A4PRKACA | |
| SCHEMBL20985756 | 0.80 | ROCK2 (0.57) | ROCK2ROCK1 | |
| SCHEMBL28266115 | 0.78 | ROCK2 (0.61) | ROCK2ROCK1TNIK | |
| SCHEMBL17913016 | 0.77 | PKM (0.66) | ROCK2ROCK1DYRK1ACYP3A4PRKACA | |
| SCHEMBL28267553 | 0.76 | ROCK2 (0.64) | ROCK2ROCK1TNIK | |
| SCHEMBL20985774 | 0.76 | ROCK2 (1.00) | ROCK2ROCK1DYRK1A | |
| SCHEMBL19643909 | 0.73 | ROCK2 (1.00) | ROCK2ROCK1 | |
| SCHEMBL24617698 | 0.71 | ROCK2 (0.72) | ROCK2ROCK1 | |
| SCHEMBL30656550 | 0.71 | ROCK2 (0.66) | ROCK2ROCK1CYP3A4PRKACA | |
| SCHEMBL30656425 | 0.71 | ROCK2 (0.72) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3464262-A1 | TRIAZOLONES AND TETRAZOLONES AS INHIBITORS OF ROCK | Bristol-Myers Squibb Company (US) | 2019-04-10 | — | — | EP | disclosed |
| WO-2017205709-A1 | TRIAZOLONES AND TETRAZOLONES AS INHIBITORS OF ROCK | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-11-30 | — | — | WO | disclosed |