Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM4 | Q14833 | 4/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.33 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22229617 | 0.91 | GRM4 (0.31) | GRM4HRH4SCN9A | |
| SCHEMBL30189449 | 0.91 | GRM4 (0.31) | GRM4HRH4SCN9A | |
| SCHEMBL28437048 | 0.87 | GRM4 (0.44) | GRM4HDAC6HRH4ROCK1KDM4E | |
| SCHEMBL28443783 | 0.87 | KDM4E (0.42) | GRM4HDAC6HRH4ROCK1KDM4E | |
| SCHEMBL28451045 | 0.84 | ROCK2 (0.48) | ROCK1ROCK2HSP90AA1 | |
| SCHEMBL28439350 | 0.84 | ROCK2 (0.44) | GRM4HDAC6HRH4MAP3K14KDM4E | |
| SCHEMBL28897458 | 0.83 | MAPT (0.46) | HRH4ROCK1KDM4ENPC1RAB9A | |
| SCHEMBL28896940 | 0.80 | DYRK1A (0.37) | ROCK2 | |
| SCHEMBL22229640 | 0.79 | ROCK2 (0.35) | SCN9AROCK2 | |
| SCHEMBL30189422 | 0.79 | ROCK2 (0.35) | SCN9AROCK2 |
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 |