Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.60 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.60 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 8/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | MAPT | P10636 | 5/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.52 |
| ▸ | GAA | P10253 | 3/20 | 0.52 |
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 6/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL12352751 | 0.87 | ROCK2 (0.60) | ROCK2ROCK1PDE4BRAB9AALDH1A1 | |
| SCHEMBL15878959 | 0.87 | ALDH1A1 (0.68) | ROCK2ROCK1PDE4BRAB9AALDH1A1 | |
| SCHEMBL27725187 | 0.84 | ALDH1A1 (0.57) | ROCK2ROCK1PDE4BRAB9AALDH1A1 | |
| SCHEMBL31233182 | 0.83 | ALDH1A1 (0.59) | ROCK2ROCK1PDE4BRAB9AALDH1A1 | |
| SCHEMBL20502052 | 0.83 | CYP1A2 (0.61) | ROCK2ROCK1CYP1A2CYP2D6FAAH | |
| SCHEMBL12745808 | 0.82 | GAA (0.69) | ROCK2ROCK1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL8845160 | 0.80 | NPC1 (0.74) | ROCK2ROCK1RAB9ASMN1; SMN2GAA | |
| SCHEMBL15878535 | 0.78 | ROCK2 (0.52) | ROCK2ROCK1PDE4BRAB9AALDH1A1 | |
| SCHEMBL19493611 | 0.77 | RAB9A (0.62) | PDE4BRAB9AALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL12791451 | 0.77 | RAB9A (0.62) | PDE4BRAB9AALDH1A1MAPTSMN1; SMN2 |
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 |