Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | NQO2 | P16083 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 2/20 | 0.32 |
| ▸ | CASP7 | P55210 | 2/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Anthracene SCHEMBL28239879 | 0.83 | ALDH1A1 (0.40) | CYP2A6ALOX12NQO2ALDH1A1HSD17B10 | |
| SCHEMBL28694544 | 0.80 | TRPM4 (0.43) | CYP2A6ALOX12ALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL3680748 | 0.78 | ALDH1A1 (0.39) | ALDH1A1HSD17B10CYP3A4TDP1CYP1A2 | |
| Naphthalene SCHEMBL27602315 | 0.77 | CYP2A6 (0.53) | CYP2A6ALOX12ALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL288549 | 0.77 | CA1 (0.37) | ALOX12ALDH1A1TDP1CA1CA2 | |
| SCHEMBL29116630 | 0.77 | TSHR (0.36) | ALOX12NQO2CYP1A2ESR2TSHR | |
| SCHEMBL28035736 | 0.75 | ALDH1A1 (0.39) | CYP2A6ALOX12ALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL20786845 | 0.75 | CYP2A6 (0.41) | CYP2A6ALOX12ALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL5397303 | 0.73 | ALDH1A1 (0.42) | CYP2A6ALDH1A1HSD17B10CYP3A4TDP1 | |
| Benzene SCHEMBL28943358 | 0.73 | TDP1 (0.44) | CYP2A6ALOX12ALDH1A1HSD17B10CYP3A4 |
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-5342929-A | Direct glycosylation leads to the desired glycosides in high yield and relatively short reaction times using metal complex salts; large amounts of the alpha- or beta-form are often obtained | CIBA-GEIGY CORPORATION (US) | 1994-08-30 | — | — | US | disclosed |