Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 8/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP11B1 | P15538 | 5/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.46 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | TYMP | P19971 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL29242869 | 1.00 | CYP2A6 (0.52) | CYP2A6ALDH1A1CYP3A4CYP1A2CYP11B1 | |
| SCHEMBL30901482 | 0.91 | CYP2A6 (0.52) | CYP2A6ALDH1A1CYP3A4CYP1A2CYP11B1 | |
| SCHEMBL29242852 | 0.91 | CYP2A6 (0.52) | CYP2A6ALDH1A1CYP3A4CYP1A2CYP11B1 | |
| SCHEMBL13145318 | 0.90 | CYP2A6 (0.64) | CYP2A6ALDH1A1CYP3A4CYP1A2CYP11B1 | |
| SCHEMBL29515584 | 0.90 | CYP2A6 (0.64) | CYP2A6ALDH1A1CYP3A4CYP1A2CYP11B1 | |
| SCHEMBL24662771 | 0.86 | CYP2A6 (0.58) | CYP2A6ALDH1A1CYP3A4CYP1A2CYP11B1 | |
| SCHEMBL1102698 | 0.82 | CYP2A6 (0.54) | CYP2A6ALDH1A1CYP3A4CYP1A2CYP11B1 | |
| SCHEMBL13911013 | 0.82 | CYP2A6 (0.58) | CYP2A6ALDH1A1CYP3A4CYP1A2CYP11B1 | |
| SCHEMBL2813022 | 0.81 | CYP2A6 (0.52) | CYP2A6ALDH1A1CYP3A4CYP1A2CYP11B1 | |
| SCHEMBL17996010 | 0.81 | CYP11B2 (0.56) | CYP2A6ALDH1A1CYP3A4CYP1A2CYP11B1 |
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 |