Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | AHR | P35869 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | KIF11 | P52732 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8404365 | 0.80 | CYP1A2 (0.48) | CYP2A6CYP1A2ALDH1A1CYP17A1GAA | |
| SCHEMBL10692400 | 0.77 | CYP1A2 (0.44) | CYP2A6CYP1A2ALDH1A1CYP17A1GAA | |
| SCHEMBL29908309 | 0.75 | CYP2A6 (0.42) | CYP2A6CYP1A2ALDH1A1CYP17A1GAA | |
| SCHEMBL787846 | 0.75 | CYP2A6 (0.42) | CYP2A6CYP1A2ALDH1A1CYP17A1GAA | |
| SCHEMBL10690295 | 0.75 | CYP1A2 (0.42) | CYP2A6CYP1A2ALDH1A1CYP17A1GAA | |
| SCHEMBL19099777 | 0.75 | CYP1A2 (0.42) | CYP2A6CYP1A2ALDH1A1CYP17A1GAA | |
| SCHEMBL10692392 | 0.75 | CYP2A6 (0.38) | CYP2A6CYP1A2ALDH1A1CYP17A1MAPT | |
| SCHEMBL24090598 | 0.72 | CYP1A2 (0.39) | CYP2A6CYP1A2ALDH1A1CYP17A1GAA | |
| SCHEMBL10689889 | 0.72 | CYP2A6 (0.50) | CYP2A6CYP1A2ALDH1A1CYP17A1RXFP1 | |
| SCHEMBL16544866 | 0.72 | GABRA1 (0.42) | CYP2A6CYP1A2ALDH1A1CYP17A1GAA |
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 |
|---|---|---|---|---|---|---|---|
| US-4737516-A | FUNGICIDES | SANDOZ LTD. (CH) | 1988-04-12 | — | — | US | disclosed |