Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.39 |
| ▸ | SORD | Q00796 | 1/20 | 0.39 |
| ▸ | EED | O75530 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 5/20 | 0.37 |
| ▸ | GRIN3B | O60391 | 5/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 5/20 | 0.37 |
| ▸ | GRIN2A | Q12879 | 5/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 5/20 | 0.37 |
| ▸ | GRIN2C | Q14957 | 5/20 | 0.37 |
| ▸ | GRIN3A | Q8TCU5 | 5/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
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 | 0.84 | ADORA2A (0.38) | CYP1A2CYP3A4ALDH1A1CYP2D6HSD17B10 | |
| SCHEMBL29640818 | 0.84 | ROCK1 (0.35) | CYP1A2CYP3A4ALDH1A1CYP2D6HSD17B10 | |
| SCHEMBL29640917 | 0.81 | TRPV3 (0.39) | CYP1A2CYP3A4ALDH1A1CYP2D6HSD17B10 | |
| SCHEMBL29640770 | 0.81 | ROCK2 (0.47) | CYP1A2CYP3A4ALDH1A1CYP2D6CYP2C19 | |
| SCHEMBL23112162 | 0.71 | GRIN2D (0.65) | CYP3A4EEDGRIN2DGRIN3BGRIN1 | |
| SCHEMBL7236541 | 0.70 | TRPV1 (0.44) | SORDGRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL8103296 | 0.70 | GRIN2D (0.69) | CYP3A4EEDGRIN2DGRIN3BGRIN1 | |
| Hydrochloric Acid SCHEMBL8804863 | 0.69 | GRIN2D (0.67) | CYP3A4EEDGRIN2DGRIN3BGRIN1 | |
| SCHEMBL6449580 | 0.68 | HSP90AA1 (0.42) | CYP1A2ALDH1A1CYP2D6KDM4ETDP1 | |
| SCHEMBL29627704 | 0.68 | HSP90AA1 (0.42) | CYP1A2ALDH1A1CYP2D6KDM4ETDP1 |
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 |