Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.66 |
| ▸ | ROCK2 | O75116 | 10/20 | 0.54 |
| ▸ | ROCK1 | Q13464 | 5/20 | 0.49 |
| ▸ | NAMPT | P43490 | 8/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | RET | P07949 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL15893952 | 0.83 | PARP1 (0.66) | PARP1ROCK2ROCK1NAMPTKDM4E | |
| SCHEMBL4208272 | 0.80 | PARP1 (1.00) | PARP1ROCK2ROCK1KDM4ENR4A2 | |
| SCHEMBL15893951 | 0.78 | ROCK2 (0.63) | PARP1ROCK2ROCK1NAMPTKDM4E | |
| SCHEMBL14826545 | 0.77 | PARP1 (0.72) | PARP1ROCK2ROCK1NAMPTKDM4E | |
| SCHEMBL15893959 | 0.77 | PARP1 (0.72) | PARP1ROCK2ROCK1NAMPTKDM4E | |
| SCHEMBL3704228 | 0.77 | PARP1 (0.72) | PARP1ROCK2ROCK1NAMPTKDM4E | |
| SCHEMBL1720510 | 0.74 | PARP1 (0.72) | PARP1ROCK2ROCK1KDM4EALDH1A1 | |
| SCHEMBL28860747 | 0.73 | PARP1 (0.66) | PARP1ROCK2ROCK1NAMPTKDM4E | |
| SCHEMBL3704699 | 0.71 | ROCK2 (1.00) | ROCK2ROCK1NAMPT | |
| SCHEMBL4217282 | 0.70 | PARP1 (0.61) | PARP1ROCK2ROCK1KDM4EALDH1A1 |
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 |