Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | SHBG | P04278 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.31 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4797836 | 1.00 | ALDH1A1 (0.44) | ALDH1A1SHBGMEN1CYP1A2CYP3A4 | |
| SCHEMBL29024830 | 0.97 | ALDH1A1 (0.47) | ALDH1A1SHBGMEN1CYP1A2CYP3A4 | |
| SCHEMBL21539856 | 0.88 | MEN1 (0.36) | MEN1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL22349300 | 0.88 | MEN1 (0.36) | MEN1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL18735543 | 0.85 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL14632242 | 0.84 | ALDH1A1 (0.40) | ALDH1A1MEN1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5412 | 0.82 | SHBG (0.48) | ALDH1A1SHBG | |
| SCHEMBL21575869 | 0.82 | SHBG (0.48) | ALDH1A1SHBG | |
| SCHEMBL3335831 | 0.82 | SHBG (0.48) | ALDH1A1SHBG | |
| SCHEMBL5282 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0735015-A2 | A liquid crystal compound having (a) deuterium atom (s) and a liquid crystal composition comprising the said compound | CHISSO CORPORATION (JP) | 1996-10-02 | — | — | EP | disclosed |