Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | PPARD | Q03181 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.36 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8725437 | 1.00 | ALDH1A1 (0.47) | ALDH1A1CYP3A4TP53ALOX15TSHR | |
| SCHEMBL8732539 | 0.87 | ESR2 (0.36) | ALDH1A1CYP3A4TP53ALOX15TSHR | |
| SCHEMBL8725114 | 0.87 | ESR2 (0.36) | ALDH1A1CYP3A4TP53ALOX15TSHR | |
| SCHEMBL8732542 | 0.87 | ESR2 (0.36) | ALDH1A1CYP3A4TP53ALOX15TSHR | |
| SCHEMBL8725107 | 0.87 | ESR2 (0.36) | ALDH1A1CYP3A4TP53ALOX15TSHR | |
| SCHEMBL8732537 | 0.87 | ESR2 (0.36) | ALDH1A1CYP3A4TP53ALOX15TSHR | |
| SCHEMBL28770396 | 0.86 | CYP3A4 (0.45) | ALDH1A1CYP3A4TP53ALOX15TSHR | |
| SCHEMBL8730569 | 0.86 | SPHK1 (0.40) | ALDH1A1CYP3A4TP53ALOX15TSHR | |
| SCHEMBL8730565 | 0.86 | SPHK1 (0.40) | ALDH1A1CYP3A4TP53ALOX15TSHR | |
| SCHEMBL8725327 | 0.84 | ESR2 (0.39) | CYP3A4ESR2SPHK1ESR1CYP2C9 |
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-0882695-A1 | BENZYL ETHER DERIVATIVES, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY | CHISSO CORPORATION (JP) | 1998-12-09 | — | — | EP | disclosed |