Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | HAAO | P46952 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | GABRP | O00591 | 1/20 | 0.39 |
| ▸ | GABRD | O14764 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL605144 | 0.98 | CYP1A2 (0.46) | CYP1A2HAAOALDH1A1KDM4EHPGD | |
| SCHEMBL27554808 | 0.87 | HAAO (0.41) | CYP1A2HAAOALDH1A1KDM4EHPGD | |
| SCHEMBL3392120 | 0.85 | TDP1 (0.48) | ALDH1A1KDM4EHPGDHSD17B10NOTUM | |
| SCHEMBL27693838 | 0.85 | GABRP (0.40) | CYP1A2HAAOALDH1A1KDM4EHPGD | |
| SCHEMBL8879805 | 0.85 | CYP1A2 (0.58) | CYP1A2ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL9249101 | 0.84 | HAAO (0.42) | CYP1A2HAAOALDH1A1KDM4EHPGD | |
| SCHEMBL27515105 | 0.84 | HAAO (0.39) | CYP1A2HAAOALDH1A1KDM4EHPGD | |
| SCHEMBL22989 | 0.83 | CYP1A2 (0.61) | CYP1A2ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL1988762 | 0.83 | CYP1A2 (0.61) | CYP1A2ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL29445717 | 0.83 | CYP1A2 (0.61) | CYP1A2ALDH1A1KDM4EHPGDHSD17B10 |
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-5639922-A | CONTACTING AROMATIC PRIMARY AND TERTIARY HYDROPEROXIDES MIXTURE OBTAINED BY OXIDATION OF ALKYLAROMATIC COMPOUNDS WITH AN ALKALI OR ALKALINE ORGANIC AROMATIC CARBOXYLIC ACID SALT, DECOMPOSING WITH ACID CATALYST FORMING ALKYL PHENOLS | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1997-06-17 | — | — | US | disclosed |