Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 1/20 | 0.35 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.35 |
| ▸ | SORD | Q00796 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 5/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.33 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.32 |
| ▸ | GSK3A | P49840 | 1/20 | 0.32 |
| ▸ | CDK9 | P50750 | 1/20 | 0.32 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.32 |
| ▸ | TAOK1 | Q7L7X3 | 1/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 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 | |
|---|---|---|---|---|
| SCHEMBL29640835 | 0.85 | ADORA2A (0.38) | ROCK1SORDGSK3BCYP1A2CYP3A4 | |
| SCHEMBL29640772 | 0.84 | CYP1A2 (0.39) | SORDGSK3BCYP1A2CYP3A4CLK4 | |
| SCHEMBL29640770 | 0.82 | ROCK2 (0.47) | ROCK1GSK3BCYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL29640917 | 0.82 | TRPV3 (0.39) | CYP1A2CYP3A4ALDH1A1HSD17B10CYP2D6 | |
| SCHEMBL22229640 | 0.69 | ROCK2 (0.35) | SCN9AROCK2 | |
| SCHEMBL29627931 | 0.69 | TRPV1 (0.39) | ROCK1CYP1A2CYP3A4ALDH1A1HSD17B10 | |
| SCHEMBL38655465 | 0.68 | GRM5 (0.46) | ALDH1A1MEN1KMT2A | |
| SCHEMBL29640899 | 0.67 | LATS1 (0.37) | GSK3BCLK4ALDH1A1CYP2D6CDK9 | |
| SCHEMBL14838148 | 0.64 | ASIC3 (0.37) | ASIC3GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL22229617 | 0.63 | GRM4 (0.31) | SCN9A |
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 |