Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.75 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.75 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.75 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.75 |
| ▸ | MKNK1 | Q9BUB5 | 5/20 | 0.61 |
| ▸ | MKNK2 | Q9HBH9 | 5/20 | 0.61 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.61 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.61 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.61 |
| ▸ | KIF11 | P52732 | 1/20 | 0.61 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.61 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.57 |
| ▸ | AXL | P30530 | 1/20 | 0.57 |
| ▸ | CA12 | O43570 | 1/20 | 0.57 |
| ▸ | CA1 | P00915 | 1/20 | 0.57 |
| ▸ | CA2 | P00918 | 1/20 | 0.57 |
| ▸ | CA9 | Q16790 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL29462717 | 1.00 | CYP2A6 (0.75) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 | |
| SCHEMBL29401742 | 1.00 | CYP2A6 (0.75) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 | |
| SCHEMBL1834445 | 1.00 | CYP2A6 (0.75) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 | |
| SCHEMBL18748285 | 1.00 | CYP2A6 (0.75) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 | |
| SCHEMBL19270245 | 1.00 | CYP2A6 (0.75) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 | |
| SCHEMBL29087586 | 1.00 | CYP2A6 (0.75) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 | |
| SCHEMBL12068478 | 0.95 | CYP2A6 (0.83) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 | |
| SCHEMBL12108682 | 0.95 | CYP2A6 (0.83) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 | |
| SCHEMBL12956908 | 0.95 | CYP2A6 (0.83) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 | |
| SCHEMBL31508264 | 0.95 | CYP2A6 (0.83) | 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 |
|---|---|---|---|---|---|---|---|
| CN-116606281-A | Homoleptic platinum metal liquid crystal luminescent material containing triazole pyridine derivative and synthesis and application thereof | 厦门大学 | 2023-08-18 | — | — | CN | disclosed |