Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.52 |
| ▸ | STAT6 | P42226 | 1/20 | 0.52 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.46 |
| ▸ | CYP1A1 | P04798 | 6/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 6/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | TP53 | P04637 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.45 |
| ▸ | PRKDC | P78527 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | PDE5A | O76074 | 1/20 | 0.45 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL12835503 | 0.89 | CYP1A2 (0.60) | CYP2D6CYP1A2CYP3A4CYP2C19STAT6 | |
| Mitoflaxone SCHEMBL106705 | 0.89 | CYP1A2 (0.62) | CYP2D6CYP1A2CYP3A4CYP2C19STAT6 | |
| SCHEMBL12835325 | 0.86 | CDK1 (0.48) | CYP2D6CYP1A2CYP3A4CYP2C19STAT6 | |
| SCHEMBL12835292 | 0.84 | CYP2D6 (0.51) | CYP2D6CYP1A2CYP3A4CYP2C19STAT6 | |
| SCHEMBL7083117 | 0.83 | CYP1A2 (0.59) | CYP2D6CYP1A2CYP3A4CYP2C19STAT6 | |
| SCHEMBL9328614 | 0.83 | CYP1A2 (0.59) | CYP2D6CYP1A2CYP3A4CYP2C19STAT6 | |
| SCHEMBL12835531 | 0.83 | CYP1A2 (0.54) | CYP2D6CYP1A2CYP3A4CYP2C19STAT6 | |
| SCHEMBL7083153 | 0.83 | CYP2D6 (0.54) | CYP2D6CYP1A2CYP3A4CYP2C19STAT6 | |
| SCHEMBL12835338 | 0.83 | TDP1 (0.57) | CYP2D6CYP1A2CYP3A4CYP2C19STAT6 | |
| SCHEMBL9327546 | 0.82 | CYP1A2 (0.58) | CYP2D6CYP1A2CYP3A4CYP2C19STAT6 |
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-2011023287-A1 | USE OF FAA AND ITS DERIVATIVES IN COSMETICS AND DERMATOLOGY | MERCK PATENT GMBH (DE) | 2011-03-03 | — | — | WO | disclosed |