Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 15/20 | 0.64 |
| ▸ | ROCK2 | O75116 | 14/20 | 0.64 |
| ▸ | ATM | Q13315 | 1/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL15878687 | 0.85 | ROCK1 (0.72) | ROCK1ROCK2ATMNPSR1 | |
| SCHEMBL19676545 | 0.83 | ROCK2 (0.67) | ROCK1ROCK2ATMNPSR1 | |
| SCHEMBL19675414 | 0.83 | ROCK1 (0.67) | ROCK1ROCK2ATMNPSR1 | |
| SCHEMBL17311574 | 0.78 | ROCK1 (1.00) | ROCK1ROCK2 | |
| SCHEMBL17311714 | 0.78 | ROCK2 (1.00) | ROCK1ROCK2 | |
| SCHEMBL15878612 | 0.78 | KDM4E (0.70) | ROCK1ROCK2NPSR1 | |
| SCHEMBL19675093 | 0.77 | ROCK1 (0.60) | ROCK1ROCK2 | |
| SCHEMBL31014274 | 0.77 | ATM (0.67) | ROCK1ROCK2ATMNPSR1 | |
| SCHEMBL15880419 | 0.77 | ATM (0.67) | ROCK1ROCK2ATMNPSR1 | |
| SCHEMBL25215003 | 0.77 | ROCK2 (0.77) | ROCK1ROCK2ATMNPSR1 |
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-3252050-A1 | PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS | Bristol-Myers Squibb Company (US) | 2017-12-06 | — | — | EP | disclosed |
| EP-3252049-A1 | PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS | Bristol-Myers Squibb Company (US) | 2017-12-06 | — | — | EP | disclosed |