Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | AR | P10275 | 1/20 | 0.47 |
| ▸ | LCK | P06239 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | EDNRB | P24530 | 1/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | STING1 | Q86WV6 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.42 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.42 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL12835507 | 0.88 | ALDH1A1 (0.70) | HSD17B10KDM4EALDH1A1CYP3A4MAPT | |
| SCHEMBL12835290 | 0.84 | CYP1A2 (0.59) | HSD17B10KDM4EALDH1A1CYP3A4MAPT | |
| SCHEMBL7085622 | 0.82 | CYP2D6 (0.53) | HSD17B10KDM4EALDH1A1CYP3A4MAPT | |
| SCHEMBL12835345 | 0.81 | CYP3A4 (0.52) | HSD17B10KDM4EALDH1A1CYP3A4MAPT | |
| SCHEMBL12835493 | 0.79 | CYP2D6 (0.49) | HSD17B10KDM4EALDH1A1CYP3A4MAPT | |
| SCHEMBL12835307 | 0.76 | CYP3A4 (0.60) | HSD17B10KDM4EALDH1A1CYP3A4MAPT | |
| SCHEMBL9328593 | 0.76 | CYP1A2 (0.44) | HSD17B10KDM4EALDH1A1CYP3A4MAPT | |
| SCHEMBL9328990 | 0.76 | CYP2D6 (0.43) | HSD17B10KDM4EALDH1A1CYP3A4MAPT | |
| Mitoflaxone SCHEMBL106705 | 0.75 | CYP1A2 (0.62) | HSD17B10KDM4EALDH1A1CYP3A4MAPT | |
| SCHEMBL7085772 | 0.75 | CYP3A4 (0.48) | HSD17B10KDM4EALDH1A1CYP3A4MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011023287-A1 | USE OF FAA AND ITS DERIVATIVES IN COSMETICS AND DERMATOLOGY | MERCK PATENT GMBH (DE) | 2011-03-03 | — | — | WO | disclosed |
| EP-0341104-B1 | Substituted flavonoid compounds, their salts, their manufacture and medicines containing these materials | MERCK PATENT GMBH (DE) | 1993-12-29 | — | — | EP | disclosed |
| EP-0341104-A2 | Substituted flavonoid compounds, their salts, their manufacture and medicines containing these materials | MERCK PATENT GmbH (DE) | 1989-11-08 | — | — | EP | disclosed |