Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 2/20 | 0.48 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.41 |
| ▸ | PROKR1 | Q8TCW9 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 8/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.35 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 2/20 | 0.35 |
| ▸ | ACACB | O00763 | 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 | |
|---|---|---|---|---|
| SCHEMBL29640982 | 0.89 | ROCK2 (0.42) | ROCK2PDE10ADYRK1AFAAHACACB | |
| SCHEMBL29640965 | 0.84 | DYRK1A (0.41) | ROCK2DYRK1AFAAHACACB | |
| SCHEMBL29640870 | 0.84 | ACACB (0.43) | ROCK2DYRK1AACACB | |
| SCHEMBL29640938 | 0.80 | ROCK2 (0.42) | ROCK2PDE10A | |
| SCHEMBL29640903 | 0.79 | DYRK1A (0.38) | DYRK1AFAAHACACB | |
| SCHEMBL29627884 | 0.79 | ROCK2 (0.51) | ROCK2PDE10AACACB | |
| SCHEMBL29640817 | 0.77 | DYRK1A (0.37) | PDE10ADYRK1AFAAH | |
| Trifluoroacetic Acid SCHEMBL29640829 | 0.76 | ACACB (0.37) | DYRK1AACACB | |
| SCHEMBL29640843 | 0.75 | MAPT (0.40) | DYRK1A | |
| SCHEMBL29640810 | 0.75 | DYRK1A (0.36) | ROCK2DYRK1A |
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 |