Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.46 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.44 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 2/20 | 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 | |
|---|---|---|---|---|
| Dihydronicotyrine SCHEMBL1207625 | 0.89 | CYP2A6 (0.52) | CYP2A6ALDH1A1CYP1A2CYP3A4NISCH | |
| SCHEMBL10016924 | 0.77 | MAPT (0.40) | CYP1A2CYP3A4NISCHKDM4ELMNA | |
| SCHEMBL5171062 | 0.72 | CYP2A6 (0.61) | CYP2A6ALDH1A1CYP1A2CYP3A4NISCH | |
| SCHEMBL30919753 | 0.70 | PPARA (0.63) | CYP2A6ALDH1A1CYP1A2CYP3A4NISCH | |
| SCHEMBL9082413 | 0.70 | PPARA (0.63) | CYP2A6ALDH1A1CYP1A2CYP3A4NISCH | |
| SCHEMBL2171290 | 0.69 | PPARA (0.57) | CYP2A6ALDH1A1CYP1A2CYP3A4KDM4E | |
| SCHEMBL120088 | 0.68 | CYP2A6 (1.00) | CYP2A6ALDH1A1CYP1A2CYP3A4CYP2E1 | |
| SCHEMBL29419014 | 0.68 | CYP2A6 (1.00) | CYP2A6ALDH1A1CYP1A2CYP3A4CYP2E1 | |
| SCHEMBL30473120 | 0.68 | CYP2A6 (1.00) | CYP2A6ALDH1A1CYP1A2CYP3A4CYP2E1 | |
| SCHEMBL25976423 | 0.68 | MEN1 (0.38) | ALDH1A1NISCHKDM4ELMNAMAPT |
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-2012005214-A1 | ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME | JNC株式会社 (JP) | 2012-01-12 | — | — | WO | disclosed |