Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 12/20 | 0.41 |
| ▸ | ACACB | O00763 | 2/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 2/20 | 0.36 |
| ▸ | GPR39 | O43194 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 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 | |
|---|---|---|---|---|
| SCHEMBL29640870 | 0.95 | ACACB (0.43) | ROCK2DYRK1AACACBSCN9A | |
| SCHEMBL29640965 | 0.93 | DYRK1A (0.41) | ROCK2DYRK1AACACBFAAH | |
| SCHEMBL29640910 | 0.89 | ROCK2 (0.48) | ROCK2DYRK1AACACBPDE10AFAAH | |
| SCHEMBL29640903 | 0.88 | DYRK1A (0.38) | DYRK1AACACBFAAH | |
| Trifluoroacetic Acid SCHEMBL29640829 | 0.86 | ACACB (0.37) | DYRK1AACACB | |
| SCHEMBL29640817 | 0.86 | DYRK1A (0.37) | DYRK1APDE10AFAAHSCN9A | |
| SCHEMBL29640843 | 0.83 | MAPT (0.40) | DYRK1A | |
| SCHEMBL29640810 | 0.81 | DYRK1A (0.36) | ROCK2DYRK1A | |
| SCHEMBL29640867 | 0.78 | CYP11B2 (0.38) | DYRK1A | |
| SCHEMBL29640876 | 0.78 | DYRK1A (0.37) | DYRK1A |
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 |