Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 16/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 14/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 8/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 5/20 | 0.40 |
| ▸ | TSHR | P16473 | 6/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28133222 | 0.82 | SRC (0.35) | CYP2D6CYP1A2HSD17B10ALDH1A1CYP3A4 | |
| SCHEMBL28514333 | 0.78 | ASIC3 (0.51) | CYP2D6CYP1A2HSD17B10ALDH1A1CYP3A4 | |
| SCHEMBL30507472 | 0.78 | ASIC3 (0.51) | CYP2D6CYP1A2HSD17B10ALDH1A1CYP3A4 | |
| SCHEMBL4436881 | 0.78 | CYP2D6 (0.47) | CYP2D6CYP1A2HSD17B10ALDH1A1CYP3A4 | |
| SCHEMBL28132401 | 0.78 | HTR2B (0.47) | CYP1A2HSD17B10CYP2C19MAPTTDP1 | |
| SCHEMBL15006764 | 0.73 | ASIC3 (0.53) | CYP1A2ALDH1A1CYP2C19KDM4EMAPT | |
| SCHEMBL24312483 | 0.70 | CYP2D6 (0.43) | CYP2D6CYP1A2HSD17B10ALDH1A1CYP3A4 | |
| SCHEMBL3127751 | 0.69 | NPC1 (0.57) | CYP1A2KDM4ETDP1ALOX5APFEN1 | |
| SCHEMBL28338128 | 0.69 | SGMS2 (0.37) | CYP1A2ALDH1A1CYP2C19KDM4EKMT2A | |
| SCHEMBL4777973 | 0.67 | KDM4E (0.50) | CYP2D6CYP1A2HSD17B10ALDH1A1CYP2C19 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106496130-B | A kind of methyl ketone derivatives and the preparation method and application thereof | 苏州大学 | 2019-09-20 | — | — | CN | claimed |
| CN-106496130-A | A kind of methyl ketone derivatives and preparation method and application | 苏州大学 | 2017-03-15 | — | — | CN | claimed |
| CN-106496130-B | A kind of methyl ketone derivatives and the preparation method and application thereof | 苏州大学 | 2019-09-20 | — | — | CN | disclosed |
| CN-106496130-A | A kind of methyl ketone derivatives and preparation method and application | 苏州大学 | 2017-03-15 | — | — | CN | disclosed |