Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 2/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.31 |
| ▸ | DKK1 | O94907 | 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 | |
|---|---|---|---|---|
| SCHEMBL29640781 | 0.92 | ROCK2 (0.37) | ROCK2FAAHHCRTR1HCRTR2ROCK1 | |
| SCHEMBL29640968 | 0.90 | FAAH (0.34) | ROCK2FAAHROCK1DKK1 | |
| SCHEMBL29640782 | 0.88 | ROCK2 (0.41) | ROCK2FAAHHCRTR1HCRTR2ROCK1 | |
| SCHEMBL29640788 | 0.86 | ALDH1A1 (0.38) | FAAH | |
| SCHEMBL29627711 | 0.77 | ROCK2 (0.55) | ROCK2ROCK1 | |
| SCHEMBL29640793 | 0.77 | ROCK2 (0.38) | ROCK2FAAHHCRTR1HCRTR2ROCK1 | |
| SCHEMBL29640778 | 0.76 | ROCK2 (0.38) | ROCK2HCRTR1HCRTR2ROCK1 | |
| SCHEMBL29640810 | 0.71 | DYRK1A (0.36) | ROCK2 | |
| SCHEMBL29640858 | 0.71 | DYRK1A (0.33) | — | |
| SCHEMBL29640878 | 0.71 | DYRK1A (0.32) | — |
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 |