Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 6/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.37 |
| ▸ | TRPV1 | Q8NER1 | 5/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29908262 | 0.88 | ROCK2 (0.39) | GAAPIK3CAROCK2ROCK1GRIN1 | |
| SCHEMBL29627924 | 0.86 | PIK3CA (0.40) | PIK3CAROCK2ROCK1HTR1A | |
| SCHEMBL29627719 | 0.84 | ROCK2 (0.53) | ROCK2ROCK1GRIN1GRIN2B | |
| SCHEMBL29627883 | 0.83 | ACACB (0.46) | PIK3CAROCK2ROCK1GRIN1GRIN2B | |
| SCHEMBL29627972 | 0.83 | ROCK2 (0.38) | ROCK2ROCK1GRIN1GRIN2BHTR1A | |
| SCHEMBL29908257 | 0.83 | GRIN2B (0.41) | GAAPIK3CAROCK2ROCK1GRIN2B | |
| SCHEMBL29908225 | 0.83 | KCNH2 (0.43) | ROCK2ROCK1TRPV1HTR1A | |
| SCHEMBL29627894 | 0.82 | ROCK2 (0.39) | ROCK2ROCK1GRIN1GRIN2BHTR1A | |
| SCHEMBL29627740 | 0.80 | ROCK2 (0.44) | ROCK2ROCK1 | |
| SCHEMBL29908258 | 0.80 | ROCK2 (0.44) | ROCK2ROCK1GRIN1GRIN2B |
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 |