Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 1/20 | 0.60 |
| ▸ | CYP2A6 | P11509 | 6/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.48 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.42 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.42 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29808198 | 0.88 | PPARA (0.73) | PPARACYP2A6ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL1188773 | 0.88 | PPARA (0.73) | PPARACYP2A6ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL4760887 | 0.87 | PPARA (0.48) | PPARAALDH1A1MKNK1MKNK2TP53 | |
| SCHEMBL30586096 | 0.78 | CYP2A6 (0.79) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 | |
| SCHEMBL21808801 | 0.78 | CYP2A6 (0.79) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 | |
| SCHEMBL30586094 | 0.78 | CYP2A6 (0.79) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 | |
| SCHEMBL12068475 | 0.76 | CYP2A6 (0.75) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 | |
| SCHEMBL12108661 | 0.74 | CYP2A6 (0.71) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 | |
| SCHEMBL12213773 | 0.73 | CYP2A6 (0.68) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 | |
| SCHEMBL5527793 | 0.73 | CYP2A6 (0.68) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 |
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-2005060971-A1 | TREATMENT OF REFLUX-RELATED DISEASES | ASTRAZENECA AB (SE) | 2005-07-07 | — | — | WO | claimed |