Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
| ▸ | ELANE | P08246 | 1/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.30 |
| ▸ | NOTUM | Q6P988 | 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 | |
|---|---|---|---|---|
| SCHEMBL25878528 | 0.91 | ESR1 (0.33) | — | |
| SCHEMBL25878383 | 0.86 | MAOA (0.37) | CYP1A1CYP1A2CYP1B1ALDH1A1HPGD | |
| SCHEMBL25878529 | 0.85 | — | — | |
| SCHEMBL25878525 | 0.82 | ALDH1A1 (0.40) | CYP1A1CYP1A2CYP1B1ALDH1A1HPGD | |
| SCHEMBL14423252 | 0.79 | CYP1A2 (0.35) | CYP1A2ALDH1A1HPGDHSD17B10 | |
| SCHEMBL12154091 | 0.75 | CYP1A2 (0.33) | CYP1A2ALDH1A1NOTUM | |
| SCHEMBL25906221 | 0.74 | ATP1A1 (0.41) | — | |
| SCHEMBL26193929 | 0.72 | CYP1A2 (0.34) | CYP1A2 | |
| SCHEMBL26193931 | 0.71 | ESR2 (0.33) | CYP1A2 | |
| SCHEMBL23007612 | 0.71 | MCL1 (0.40) | CYP1A2ALDH1A1MCL1ELANE |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023134594-A1 | NEGATIVE DIELECTRIC ANISOTROPIC LIQUID CRYSTAL COMPOSITION, OPTICAL ANISOTROPIER, AND LIQUID CRYSTAL DISPLAY COMPONENT | 烟台显华科技集团股份有限公司 | 2023-07-20 | — | — | WO | disclosed |