Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.56 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.56 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | FLT3 | P36888 | 1/20 | 0.48 |
| ▸ | HRH1 | P35367 | 2/20 | 0.46 |
| ▸ | ELOVL1 | Q9BW60 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.44 |
| ▸ | KIF11 | P52732 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 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 | |
|---|---|---|---|---|
| SCHEMBL1129403 | 0.86 | CYP2A6 (0.62) | CYP2A6MKNK1MKNK2CYP3A4ALDH1A1 | |
| SCHEMBL13527201 | 0.84 | TDP1 (0.65) | CYP2A6MKNK1MKNK2CYP3A4ALDH1A1 | |
| SCHEMBL15060898 | 0.82 | TDP1 (0.67) | CYP2A6MKNK1MKNK2CYP3A4ALDH1A1 | |
| SCHEMBL14080858 | 0.82 | CYP2A6 (0.67) | CYP2A6MKNK1MKNK2CYP3A4ALDH1A1 | |
| SCHEMBL35988 | 0.81 | CYP2A6 (0.61) | CYP2A6MKNK1MKNK2CYP3A4ALDH1A1 | |
| SCHEMBL15903707 | 0.81 | HRH1 (0.68) | CYP2A6HRH1TDP1L3MBTL1 | |
| SCHEMBL11067175 | 0.81 | HRH1 (0.68) | CYP2A6HRH1TDP1L3MBTL1 | |
| SCHEMBL4966893 | 0.80 | CYP2A6 (0.69) | CYP2A6MKNK1MKNK2CYP3A4ALDH1A1 | |
| SCHEMBL12435674 | 0.80 | CYP3A4 (0.64) | CYP2A6MKNK1MKNK2CYP3A4ALDH1A1 | |
| SCHEMBL178089 | 0.79 | TDP1 (0.67) | CYP2A6CYP1A2HRH1CYP2D6TDP1 |
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-3467073-A1 | SPONTANEOUS ORIENTATION AID FOR LIQUID CRYSTAL COMPOSITION, COMPOUND SUITABLE FOR SAID SPONTANEOUS ORIENTATION AID, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT | DIC Corporation (JP) | 2019-04-10 | — | — | EP | disclosed |