Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TYR | P14679 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL686436 | 0.96 | CYP1A2 (0.42) | CYP1A2CYP2C19ALOX5SMN1; SMN2TYR | |
| SCHEMBL9680746 | 0.89 | ALDH1A1 (0.39) | CYP1A2CYP2C19ALOX5SMN1; SMN2TYR | |
| Ethylene Glycol SCHEMBL29048889 | 0.86 | CYP1A2 (0.40) | CYP1A2CYP2C19ALOX5SMN1; SMN2PYCR1 | |
| SCHEMBL21628043 | 0.83 | TYR (0.46) | TYR | |
| SCHEMBL11442832 | 0.80 | LMNA (0.40) | ALOX5 | |
| SCHEMBL16234244 | 0.77 | CYP2C19 (0.41) | CYP1A2CYP2C19ALOX5SMN1; SMN2CYP2A6 | |
| SCHEMBL29595346 | 0.77 | TYR (0.41) | TYR | |
| SCHEMBL454717 | 0.77 | TYR (0.58) | TYRPOLBALDH1A1 | |
| SCHEMBL874206 | 0.77 | TYR (0.58) | TYRPOLBALDH1A1 | |
| SCHEMBL27373192 | 0.75 | CYP2C19 (0.42) | CYP1A2CYP2C19ALOX5SMN1; SMN2CYP2A6 |
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-113717735-B | Positive dielectric anisotropic liquid crystal compound, liquid crystal composition and liquid crystal display device | 烟台显华科技集团股份有限公司 | 2023-08-08 | — | — | CN | disclosed |