Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | LCK | P06239 | 1/20 | 0.42 |
| ▸ | FYN | P06241 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | AHR | P35869 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 2/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | TLR2 | O60603 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | NQO1 | P15559 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 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 | |
|---|---|---|---|---|
| Ethyl Acetate SCHEMBL28192449 | 0.93 | KDM4E (0.40) | KDM4EMAPTALDH1A1CYP1A2LCK | |
| Ethyl Acetate SCHEMBL28168585 | 0.90 | CNR2 (0.43) | KDM4EMAPTALDH1A1CYP1A2LCK | |
| Acetic Acid Butyl Ester SCHEMBL28175322 | 0.88 | ALDH1A1 (0.41) | KDM4EMAPTALDH1A1CYP1A2LCK | |
| Diethyl Phthalate SCHEMBL27447870 | 0.88 | CDC25B (0.54) | KDM4EMAPTALDH1A1MAPK1KMT2A | |
| Ethaneperoxoic Acid SCHEMBL27905558 | 0.87 | ALDH1A1 (0.43) | KDM4EMAPTALDH1A1CYP1A2LCK | |
| Butanone SCHEMBL28108201 | 0.87 | ALDH1A1 (0.43) | KDM4EMAPTALDH1A1CYP1A2LCK | |
| E1501 SCHEMBL28062423 | 0.87 | ALDH1A1 (0.51) | KDM4EMAPTALDH1A1CYP1A2LCK | |
| SCHEMBL27761453 | 0.86 | ALDH1A1 (0.42) | KDM4EMAPTALDH1A1CYP1A2LCK | |
| Acetic Acid SCHEMBL27295805 | 0.85 | ALDH1A1 (0.46) | KDM4EMAPTALDH1A1CYP1A2LCK | |
| Alcohol SCHEMBL27596925 | 0.84 | ALDH1A1 (0.47) | KDM4EMAPTALDH1A1CYP1A2LCK |
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-108586226-A | A kind of 3- methyl-3-butene-2-ols chalcone compounds and its synthesis and application | 温州医科大学 | 2018-09-28 | — | — | CN | disclosed |