Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.38 |
| ▸ | TRAP1 | Q12931 | 4/20 | 0.36 |
| ▸ | HSP90B1 | P14625 | 3/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.35 |
| ▸ | LCK | P06239 | 2/20 | 0.34 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.34 |
| ▸ | INSR | P06213 | 1/20 | 0.34 |
| ▸ | IGF1R | P08069 | 1/20 | 0.34 |
| ▸ | MET | P08581 | 1/20 | 0.34 |
| ▸ | KIT | P10721 | 1/20 | 0.34 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | SYK | P43405 | 1/20 | 0.34 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30189613 | 0.93 | MGLL (0.35) | MGLLABHD6TRAP1HSP90B1ROCK2 | |
| SCHEMBL22229569 | 0.93 | MGLL (0.35) | MGLLABHD6TRAP1HSP90B1ROCK2 | |
| SCHEMBL28451045 | 0.86 | ROCK2 (0.48) | ROCK2ROCK1HSP90AA1NOS1NOS2 | |
| SCHEMBL22229621 | 0.82 | ROCK2 (0.39) | MGLLABHD6TRAP1HSP90B1ROCK2 | |
| SCHEMBL30189612 | 0.82 | ROCK2 (0.39) | MGLLABHD6TRAP1HSP90B1ROCK2 | |
| SCHEMBL28443783 | 0.78 | KDM4E (0.42) | ROCK2ROCK1KDM4E | |
| SCHEMBL28897461 | 0.78 | GRM4 (0.34) | ROCK2ROCK1KDM4EHSP90AA1 | |
| SCHEMBL28437048 | 0.78 | GRM4 (0.44) | ROCK2ROCK1KDM4EHRH3ADORA2A | |
| SCHEMBL22229650 | 0.78 | ROCK2 (0.43) | ROCK2ROCK1NOS1NOS2 | |
| SCHEMBL30189463 | 0.78 | ROCK2 (0.43) | ROCK2ROCK1NOS1NOS2 |
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-111406051-A | Vinylheterocycles as RHO-associated coiled coil kinase (ROCK) inhibitors | 安吉昂生物医药公司 | 2020-07-10 | — | — | CN | claimed |
| CN-111406051-A | Vinylheterocycles as RHO-associated coiled coil kinase (ROCK) inhibitors | 安吉昂生物医药公司 | 2020-07-10 | — | — | CN | disclosed |