Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 10/20 | 0.94 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.94 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.94 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.94 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.67 |
| ▸ | LMNA | P02545 | 1/20 | 0.67 |
| ▸ | TP53 | P04637 | 1/20 | 0.67 |
| ▸ | MAPT | P10636 | 1/20 | 0.67 |
| ▸ | HPGD | P15428 | 1/20 | 0.67 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.67 |
| ▸ | HTT | P42858 | 1/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.67 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.67 |
| ▸ | CYP2B6 | P20813 | 4/20 | 0.60 |
| ▸ | MKNK1 | Q9BUB5 | 3/20 | 0.60 |
| ▸ | MKNK2 | Q9HBH9 | 3/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.60 |
| ▸ | MEN1 | O00255 | 1/20 | 0.60 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL30473120 | 0.97 | CYP2A6 (1.00) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL120088 | 0.97 | CYP2A6 (1.00) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL29419014 | 0.97 | CYP2A6 (1.00) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| Benzene SCHEMBL27934930 | 0.94 | CYP2A6 (0.94) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| Hydrochloric Acid SCHEMBL4831090 | 0.94 | CYP2A6 (0.94) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL28301145 | 0.94 | CYP2A6 (0.94) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| Phosphine SCHEMBL28126457 | 0.94 | CYP2A6 (0.94) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL27812368 | 0.94 | CYP2A6 (0.94) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL28275760 | 0.94 | CYP2A6 (0.94) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL29234687 | 0.92 | CYP2A6 (0.79) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E |
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-108707101-A | The method of photocatalysis synthetic alkaloid | 深圳大学 | 2018-10-26 | — | — | CN | disclosed |