Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.34 |
| ▸ | NAMPT | P43490 | 1/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 9/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29640810 | 0.91 | DYRK1A (0.36) | ROCK2DYRK1A | |
| SCHEMBL29640793 | 0.90 | ROCK2 (0.38) | ROCK2ROCK1ADORA2AHCRTR1HCRTR2 | |
| SCHEMBL29640878 | 0.89 | DYRK1A (0.32) | DYRK1A | |
| SCHEMBL29640838 | 0.89 | ROCK2 (0.37) | ROCK2ROCK1ADORA2AHCRTR1HCRTR2 | |
| SCHEMBL29640938 | 0.87 | ROCK2 (0.42) | ROCK2ROCK1HCRTR1HCRTR2NAMPT | |
| SCHEMBL29640858 | 0.86 | DYRK1A (0.33) | DYRK1A | |
| SCHEMBL29640949 | 0.85 | MAP4K1 (0.37) | — | |
| Trifluoroacetic Acid SCHEMBL29640902 | 0.84 | HCRTR1 (0.37) | HCRTR1HCRTR2NAMPT | |
| SCHEMBL29640867 | 0.84 | CYP11B2 (0.38) | DYRK1A | |
| SCHEMBL29640781 | 0.83 | ROCK2 (0.37) | ROCK2ROCK1ADORA2AHCRTR1HCRTR2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114502163-A | Ethynylheterocycles as RHO-related coiled coil kinase (ROCK) inhibitors | 安吉昂生物医药公司 | 2022-05-13 | — | — | CN | disclosed |