Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 2/20 | 0.37 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.37 |
| ▸ | NAMPT | P43490 | 4/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
| ▸ | EIF2AK4 | Q9P2K8 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 1/20 | 0.30 |
| ▸ | CNR2 | P34972 | 1/20 | 0.30 |
| ▸ | CRHR1 | P34998 | 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 | 0.84 | ROCK2 (0.38) | HCRTR1HCRTR2NAMPT | |
| SCHEMBL29640810 | 0.84 | DYRK1A (0.36) | — | |
| Trifluoroacetic Acid SCHEMBL29640829 | 0.83 | ACACB (0.37) | HCRTR1HCRTR2 | |
| SCHEMBL29640878 | 0.83 | DYRK1A (0.32) | SCN9A | |
| SCHEMBL29640938 | 0.81 | ROCK2 (0.42) | HCRTR1HCRTR2NAMPTSCN9A | |
| SCHEMBL29640858 | 0.80 | DYRK1A (0.33) | — | |
| SCHEMBL29640949 | 0.79 | MAP4K1 (0.37) | KDR | |
| Trifluoroacetic Acid SCHEMBL29640927 | 0.79 | POLB (0.40) | — | |
| SCHEMBL29640827 | 0.78 | PDE10A (0.33) | HCRTR1HCRTR2 | |
| SCHEMBL29640843 | 0.75 | MAPT (0.40) | — |
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 |