Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 9/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 5/20 | 0.42 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.36 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.35 |
| ▸ | TIPARP | Q7Z3E1 | 2/20 | 0.34 |
| ▸ | MTOR | P42345 | 1/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.33 |
| ▸ | CDK4 | P11802 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 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 | |
|---|---|---|---|---|
| SCHEMBL29640938 | 0.91 | ROCK2 (0.42) | ROCK2ROCK1PDE10AHCRTR1HCRTR2 | |
| SCHEMBL29640793 | 0.87 | ROCK2 (0.38) | ROCK2ROCK1HCRTR1HCRTR2SCN9A | |
| SCHEMBL29640822 | 0.85 | MAP4K1 (0.38) | CDK4CDK2GSK3B | |
| SCHEMBL29640782 | 0.83 | ROCK2 (0.41) | ROCK2ROCK1PDE10AHCRTR1HCRTR2 | |
| SCHEMBL29640812 | 0.82 | TIPARP (0.39) | ROCK2ROCK1TIPARPSCN9A | |
| SCHEMBL29640821 | 0.80 | ROCK2 (0.41) | ROCK2ROCK1PDE10ATIPARPHSP90AB1 | |
| SCHEMBL29640827 | 0.79 | PDE10A (0.33) | PDE10AHCRTR1HCRTR2DYRK1A | |
| SCHEMBL29640810 | 0.78 | DYRK1A (0.36) | ROCK2DYRK1A | |
| SCHEMBL29640778 | 0.77 | ROCK2 (0.38) | ROCK2ROCK1HCRTR1HCRTR2DYRK1A | |
| SCHEMBL29640878 | 0.77 | DYRK1A (0.32) | SCN9ADYRK1A |
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 |