Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.32 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.31 |
| ▸ | SRC | P12931 | 1/20 | 0.31 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.31 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.31 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28836033 | 0.89 | MEN1 (0.35) | CYP1A2CYP2C19MEN1ALDH1A1CYP3A4 | |
| SCHEMBL28835947 | 0.79 | PTPN1 (0.36) | CYP1A2CYP2C19MEN1ALDH1A1CYP3A4 | |
| SCHEMBL28835923 | 0.78 | CHRM3 (0.35) | CYP2C19MEN1ALDH1A1CYP2C9KMT2A | |
| SCHEMBL28835983 | 0.76 | MEN1 (0.35) | CYP1A2CYP2C19MEN1ALDH1A1CYP3A4 | |
| SCHEMBL28835982 | 0.76 | MEN1 (0.33) | CYP1A2CYP2C19MEN1ALDH1A1CYP3A4 | |
| SCHEMBL28432428 | 0.68 | PDE4B (0.36) | ALDH1A1HTTPDE4BMAPT | |
| SCHEMBL28836036 | 0.68 | HTT (0.34) | CYP1A2CYP2C19MEN1ALDH1A1CYP3A4 | |
| SCHEMBL28836031 | 0.66 | CYP1A2 (0.37) | CYP1A2CYP2C19MEN1ALDH1A1CYP3A4 | |
| SCHEMBL28581527 | 0.64 | PDE4B (0.33) | PDE4B | |
| SCHEMBL28963824 | 0.63 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115010600-B | Method for synthesizing polyfluoroaryl carboxylic acid compound based on aryl fluorocarbon bond carboxylation reaction | 四川大学 | 2023-11-17 | — | — | CN | disclosed |
| CN-115010600-A | Method for synthesizing polyfluoroaryl carboxylic acid compounds based on aryl fluorocarbon bond carboxylation reaction | 四川大学 | 2022-09-06 | — | — | CN | disclosed |