Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRC | P12931 | 2/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | CES2 | O00748 | 2/20 | 0.44 |
| ▸ | CES1 | P23141 | 2/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL28232458 | 1.00 | SRC (0.54) | SRCCYP2D6LMNAMAPK1CES2 | |
| SCHEMBL28233357 | 1.00 | SRC (0.54) | SRCCYP2D6LMNAMAPK1CES2 | |
| SCHEMBL28232530 | 0.97 | SRC (0.56) | SRCCYP2D6LMNAMAPK1CES2 | |
| SCHEMBL28232476 | 0.97 | SRC (0.56) | SRCCYP2D6LMNAMAPK1CES2 | |
| SCHEMBL241909 | 0.97 | SRC (0.56) | SRCCYP2D6LMNAMAPK1CES2 | |
| Water SCHEMBL28031423 | 0.95 | SRC (0.54) | SRCCYP2D6LMNAMAPK1CES2 | |
| Ammonia Solution, Strong SCHEMBL15841783 | 0.95 | SRC (0.54) | SRCCYP2D6LMNAMAPK1CES2 | |
| Methane SCHEMBL10337825 | 0.91 | LMNA (0.54) | SRCCYP2D6LMNAMAPK1CES2 | |
| Methane SCHEMBL21835629 | 0.91 | LMNA (0.54) | SRCCYP2D6LMNAMAPK1CES2 | |
| SCHEMBL11573233 | 0.84 | PTGS2 (0.59) | SRCCYP2D6CYP2C19 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108409622-B | A kind of chiral alpha-fluorophenylacetic acid selenium ester type compound and its preparation and application | 中国科学院福建物质结构研究所 | 2019-07-30 | — | — | CN | claimed |
| CN-108409622-A | A kind of chiral alpha-fluorophenylacetic acid selenium ester type compound and its preparation and application | 中国科学院福建物质结构研究所 | 2018-08-17 | — | — | CN | claimed |
| CN-108409622-B | A kind of chiral alpha-fluorophenylacetic acid selenium ester type compound and its preparation and application | 中国科学院福建物质结构研究所 | 2019-07-30 | — | — | CN | disclosed |
| CN-108409622-B | A kind of chiral alpha-fluorophenylacetic acid selenium ester type compound and its preparation and application | 中国科学院福建物质结构研究所 | 2019-07-30 | — | — | CN | disclosed |
| CN-110047558-A | A kind of method that Enantiomeric excess theoretical calculation determines Chiral Amine absolute configuration | 中国科学院福建物质结构研究所 | 2019-07-23 | — | — | CN | disclosed |
| CN-108409622-A | A kind of chiral alpha-fluorophenylacetic acid selenium ester type compound and its preparation and application | 中国科学院福建物质结构研究所 | 2018-08-17 | — | — | CN | disclosed |