Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.46 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.46 |
| ▸ | MKNK1 | Q9BUB5 | 3/20 | 0.46 |
| ▸ | MKNK2 | Q9HBH9 | 3/20 | 0.46 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.46 |
| ▸ | KIF11 | P52732 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | DHODH | Q02127 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29242852 | 1.00 | CYP2A6 (0.52) | CYP2A6ALDH1A1CYP1A2CYP3A4CYP11B2 | |
| SCHEMBL29242869 | 0.91 | CYP2A6 (0.52) | CYP2A6ALDH1A1CYP1A2CYP3A4CYP11B2 | |
| SCHEMBL30901465 | 0.91 | CYP2A6 (0.52) | CYP2A6ALDH1A1CYP1A2CYP3A4CYP11B2 | |
| SCHEMBL2757068 | 0.91 | CYP2A6 (0.62) | CYP2A6ALDH1A1CYP1A2CYP3A4CYP11B2 | |
| SCHEMBL19825254 | 0.89 | CYP2A6 (0.60) | CYP2A6ALDH1A1CYP1A2CYP3A4CYP11B2 | |
| SCHEMBL20158585 | 0.89 | CYP2A6 (0.60) | CYP2A6ALDH1A1CYP1A2CYP3A4CYP11B2 | |
| SCHEMBL10030097 | 0.86 | CYP2A6 (0.56) | CYP2A6ALDH1A1CYP1A2CYP3A4CYP11B2 | |
| SCHEMBL22470317 | 0.83 | CYP2A6 (0.52) | CYP2A6ALDH1A1CYP1A2CYP3A4CYP11B2 | |
| SCHEMBL10030085 | 0.83 | CYP11B1 (0.54) | CYP2A6ALDH1A1CYP1A2CYP3A4CYP11B2 | |
| SCHEMBL15977643 | 0.81 | CYP11B1 (0.53) | CYP2A6ALDH1A1CYP1A2CYP3A4CYP11B2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117999268-A | Organic compound and organic electroluminescent element using same | 索路思高新材料有限公司 | 2024-05-07 | — | — | CN | disclosed |