Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.45 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | KMO | O15229 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2284243 | 0.84 | GSK3B (0.52) | GSK3BALDH1A1POLBMAPK1HIF1A | |
| SCHEMBL31318386 | 0.84 | GSK3B (0.52) | GSK3BALDH1A1POLBMAPK1HIF1A | |
| SCHEMBL9657091 | 0.83 | ALDH1A1 (0.49) | ALDH1A1POLBMAPK1CYP3A4TSHR | |
| SCHEMBL29836035 | 0.82 | GSK3B (0.59) | GSK3BALDH1A1POLBMAPK1HIF1A | |
| SCHEMBL5005689 | 0.82 | GSK3B (0.59) | GSK3BALDH1A1POLBMAPK1HIF1A | |
| SCHEMBL10708232 | 0.80 | ALDH1A1 (0.50) | ALDH1A1POLBHIF1ATSHRHPGD | |
| SCHEMBL437529 | 0.79 | ALDH1A1 (0.66) | ALDH1A1POLBMAPK1CYP3A4TSHR | |
| SCHEMBL11743910 | 0.79 | GSK3B (0.47) | GSK3BALDH1A1POLBMAPK1HIF1A | |
| SCHEMBL7357758 | 0.79 | ALDH1A1 (0.45) | ALDH1A1POLBCYP3A4TSHRTHRB | |
| SCHEMBL8768769 | 0.78 | GSK3B (0.55) | GSK3BALDH1A1MAPK1HIF1ATRPA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111004107-B | Substituted dichlorobenzene compound containing propenone, preparation method and application | 山东大学 | 2021-03-16 | — | — | CN | disclosed |
| CN-111004107-A | Substituted dichlorobenzene compound containing propenone, preparation method and application | 山东大学 | 2020-04-14 | — | — | CN | disclosed |
| CN-109748785-A | Two aromatic hydrocarbon substituted propenone class compounds of one kind and preparation method and application | 山东大学 | 2019-05-14 | — | — | CN | disclosed |