Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 6/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.32 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.32 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28777015 | 1.00 | ROCK2 (0.42) | ROCK2ROCK1LCKMAPTMEN1 | |
| SCHEMBL29007155 | 0.88 | LCK (0.45) | ROCK2ROCK1LCKMAPTNPC1 | |
| SCHEMBL28777011 | 0.88 | ROCK2 (0.42) | ROCK2ROCK1LCKMAPTMEN1 | |
| SCHEMBL16637702 | 0.87 | ROCK2 (0.44) | ROCK2ROCK1MAPTMEN1NPC1 | |
| SCHEMBL28777048 | 0.87 | LCK (0.45) | ROCK2ROCK1LCKMAPTMEN1 | |
| SCHEMBL16637704 | 0.83 | ROCK2 (0.65) | ROCK2ROCK1CDK2CYP3A4CYP2D6 | |
| SCHEMBL28777031 | 0.80 | FAAH (0.30) | FAAH | |
| SCHEMBL29674733 | 0.79 | MEN1 (0.43) | ROCK2ROCK1MAPTMEN1NPC1 | |
| SCHEMBL29674711 | 0.79 | MEN1 (0.43) | ROCK2ROCK1MAPTMEN1NPC1 | |
| SCHEMBL29674616 | 0.77 | ROCK2 (0.66) | ROCK2ROCK1CDK2CCNA2TTK |
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 |
|---|---|---|---|---|---|---|---|
| CN-114573566-B | Selective ROCK2 kinase inhibitors | 杭州邦顺制药有限公司 | 2023-05-30 | — | — | CN | disclosed |
| CN-114573566-A | Selective ROCK2 kinase inhibitors | 杭州邦顺制药有限公司 | 2022-06-03 | — | — | CN | disclosed |