Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | MKNK1 | Q9BUB5 | 3/20 | 0.47 |
| ▸ | MKNK2 | Q9HBH9 | 3/20 | 0.47 |
| ▸ | DHODH | Q02127 | 1/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.45 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.44 |
| ▸ | KIF11 | P52732 | 1/20 | 0.44 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.44 |
| ▸ | TNF | P01375 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL17320748 | 0.95 | CYP2A6 (0.50) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 | |
| SCHEMBL10016740 | 0.92 | CYP11B1 (0.53) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 | |
| SCHEMBL18165295 | 0.92 | CYP11B1 (0.49) | CYP2A6ALDH1A1CYP1A2CYP3A4CYP11B1 | |
| SCHEMBL17320743 | 0.90 | CYP11B1 (0.49) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 | |
| SCHEMBL20158585 | 0.90 | CYP2A6 (0.60) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 | |
| SCHEMBL19825254 | 0.90 | CYP2A6 (0.60) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 | |
| SCHEMBL24433142 | 0.89 | DHODH (0.48) | CYP2A6ALDH1A1CYP1A2CYP3A4DHODH | |
| SCHEMBL17320756 | 0.89 | PIK3CA (0.55) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 | |
| SCHEMBL2757068 | 0.88 | CYP2A6 (0.62) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 | |
| SCHEMBL9613008 | 0.88 | CYP11B1 (0.46) | 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-2012005214-A1 | ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME | JNC株式会社 (JP) | 2012-01-12 | — | — | WO | disclosed |