Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 2/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 4/20 | 0.35 |
| ▸ | HCRTR1 | O43613 | 11/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 11/20 | 0.34 |
| ▸ | RBP4 | P02753 | 1/20 | 0.34 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.31 |
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 | 0.86 | ROCK2 (0.42) | ACACBDYRK1A | |
| SCHEMBL29640817 | 0.86 | DYRK1A (0.37) | DYRK1AHCRTR1HCRTR2 | |
| SCHEMBL29640870 | 0.84 | ACACB (0.43) | ACACBDYRK1A | |
| Trifluoroacetic Acid SCHEMBL29640902 | 0.83 | HCRTR1 (0.37) | HCRTR1HCRTR2 | |
| Trifluoroacetic Acid SCHEMBL29640927 | 0.82 | POLB (0.40) | ACACBDYRK1A | |
| SCHEMBL29640965 | 0.82 | DYRK1A (0.41) | ACACBDYRK1A | |
| SCHEMBL29640903 | 0.80 | DYRK1A (0.38) | ACACBDYRK1AAOC3 | |
| SCHEMBL29640843 | 0.79 | MAPT (0.40) | DYRK1A | |
| SCHEMBL29640810 | 0.78 | DYRK1A (0.36) | DYRK1A | |
| Trifluoroacetic Acid SCHEMBL29908226 | 0.78 | ACACB (0.40) | ACACBHCRTR1HCRTR2 |
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 |