Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | NAMPT | P43490 | 1/20 | 0.31 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.30 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.30 |
| ▸ | FAAH | O00519 | 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 | |
|---|---|---|---|---|
| SCHEMBL29640778 | 0.83 | ROCK2 (0.38) | ADORA2ANAMPTROCK2ROCK1 | |
| SCHEMBL29640793 | 0.77 | ROCK2 (0.38) | ADORA2ANAMPTROCK2ROCK1FAAH | |
| SCHEMBL29640781 | 0.75 | ROCK2 (0.37) | ADORA2ANAMPTROCK2ROCK1FAAH | |
| SCHEMBL29627931 | 0.73 | TRPV1 (0.39) | ADORA2AUSP2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL29627892 | 0.73 | ROCK2 (0.50) | ROCK2ROCK1 | |
| SCHEMBL29640810 | 0.73 | DYRK1A (0.36) | ROCK2 | |
| SCHEMBL29640878 | 0.73 | DYRK1A (0.32) | — | |
| SCHEMBL29640838 | 0.72 | ROCK2 (0.37) | ADORA2ANAMPTROCK2ROCK1FAAH | |
| SCHEMBL29640949 | 0.71 | MAP4K1 (0.37) | — | |
| SCHEMBL29640835 | 0.70 | ADORA2A (0.38) | ADORA2AUSP2ALDH1A1CYP1A2CYP3A4 |
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 |