Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 8/20 | 0.37 |
| ▸ | PPARG | P37231 | 2/20 | 0.37 |
| ▸ | PPARD | Q03181 | 2/20 | 0.37 |
| ▸ | PPARA | Q07869 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 5/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 5/20 | 0.35 |
| ▸ | CNR2 | P34972 | 5/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 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 | |
|---|---|---|---|---|
| SCHEMBL8727690 | 1.00 | ALDH1A1 (0.43) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL8727039 | 0.86 | ALDH1A1 (0.42) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL8730750 | 0.86 | ALDH1A1 (0.42) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL8730745 | 0.86 | ALDH1A1 (0.42) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL8727041 | 0.86 | ALDH1A1 (0.42) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL8730874 | 0.84 | ALDH1A1 (0.46) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL8727939 | 0.84 | ALDH1A1 (0.46) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL8727087 | 0.84 | ALDH1A1 (0.41) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL8727837 | 0.84 | ALDH1A1 (0.41) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL8727093 | 0.84 | ALDH1A1 (0.41) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 |
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 |