Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.57 |
| ▸ | PPARG | P37231 | 2/20 | 0.47 |
| ▸ | PPARD | Q03181 | 2/20 | 0.47 |
| ▸ | PPARA | Q07869 | 1/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 7/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 6/20 | 0.44 |
| ▸ | GABRB2 | P47870 | 6/20 | 0.44 |
| ▸ | CNR2 | P34972 | 4/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.43 |
| ▸ | AR | P10275 | 1/20 | 0.43 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.43 |
| ▸ | ERN1 | O75460 | 1/20 | 0.42 |
| ▸ | XDH | P47989 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8018936 | 0.94 | ALDH1A1 (0.63) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL584333 | 0.82 | ALDH1A1 (0.56) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL198803 | 0.82 | ERN1 (0.47) | ERN1PTGS2 | |
| SCHEMBL8725419 | 0.81 | ALDH1A1 (0.48) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL8731487 | 0.81 | ALDH1A1 (0.48) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| Water SCHEMBL28100235 | 0.80 | ALDH1A1 (0.54) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL8576732 | 0.80 | ALDH1A1 (0.88) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL8728237 | 0.80 | ALDH1A1 (0.44) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL11228368 | 0.80 | ALDH1A1 (0.88) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL5888430 | 0.80 | ALDH1A1 (0.44) | 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 |