Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 5/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.38 |
| ▸ | EPHB3 | P54753 | 2/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17324591 | 0.88 | FGFR1 (0.42) | ROCK2HRH3KDM4EALDH1A1CYP1A2 | |
| SCHEMBL15881956 | 0.87 | KDM4E (0.43) | HRH3KDM4EALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL21947201 | 0.85 | HPGD (0.41) | HRH3KDM4EALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL17321454 | 0.84 | KDM4E (0.41) | HRH3KDM4EALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL15882563 | 0.83 | HPGD (0.52) | KDM4EALDH1A1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL19675467 | 0.78 | HPGD (0.40) | HRH3CYP1A2CYP3A4CYP2C19HPGD | |
| SCHEMBL17324758 | 0.75 | ROCK2 (0.40) | ROCK2KDM4EALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL17311543 | 0.75 | ROCK1 (0.65) | ROCK2 | |
| SCHEMBL15882108 | 0.74 | PRKAB2 (0.41) | ROCK2KDM4EALDH1A1 | |
| SCHEMBL25253242 | 0.73 | EPHB3 (0.40) | ROCK2EPHB3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9926282-B2 | Phthalazinones and isoquinolinones as rock inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-03-27 | — | — | US | disclosed |