Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 12/20 | 0.67 |
| ▸ | ROCK2 | O75116 | 11/20 | 0.67 |
| ▸ | ATM | Q13315 | 1/20 | 0.59 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.59 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.59 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.59 |
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 | 0.87 | ROCK1 (0.72) | ROCK1ROCK2ATMNPSR1 | |
| SCHEMBL19676545 | 0.86 | ROCK2 (0.67) | ROCK1ROCK2ATMNPSR1NCOA1 | |
| SCHEMBL19675413 | 0.83 | ROCK1 (0.64) | ROCK1ROCK2ATMNPSR1 | |
| SCHEMBL15878612 | 0.83 | KDM4E (0.70) | ROCK1ROCK2NPSR1NCOA1NCOA3 | |
| SCHEMBL31014274 | 0.82 | ATM (0.67) | ROCK1ROCK2ATMNPSR1NCOA1 | |
| SCHEMBL19675093 | 0.82 | ROCK1 (0.60) | ROCK1ROCK2NCOA1NCOA3MAPK1 | |
| SCHEMBL17311646 | 0.81 | ROCK1 (1.00) | ROCK1ROCK2ATMNPSR1NCOA1 | |
| SCHEMBL17311714 | 0.80 | ROCK2 (1.00) | ROCK1ROCK2KDM4E | |
| SCHEMBL17311574 | 0.80 | ROCK1 (1.00) | ROCK1ROCK2 | |
| SCHEMBL17311550 | 0.80 | ROCK2 (1.00) | ROCK1ROCK2ATMNPSR1NCOA1 |
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-3252049-A1 | PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS | Bristol-Myers Squibb Company (US) | 2017-12-06 | — | — | EP | disclosed |
| EP-3252050-A1 | PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS | Bristol-Myers Squibb Company (US) | 2017-12-06 | — | — | EP | disclosed |