Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 1/20 | 0.52 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.47 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.47 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | FBP1 | P09467 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.40 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30583099 | 0.84 | CYP2C19 (0.56) | TNFRSF1ACYP1A1CYP1B1CYP2C19MAOB | |
| SCHEMBL28655879 | 0.84 | CYP2C19 (0.56) | TNFRSF1ACYP1A1CYP1B1CYP2C19MAOB | |
| SCHEMBL16595199 | 0.83 | CYP1A2 (0.50) | CYP1B1CYP2C19MAOBLMNAMAOA | |
| SCHEMBL28851979 | 0.83 | CYP1B1 (0.42) | CYP1B1CYP2C19MAOBLMNAMAOA | |
| SCHEMBL28852043 | 0.83 | CYP1B1 (0.47) | NFE2L2CYP1A1CYP1B1CYP2C19MAOB | |
| SCHEMBL28666870 | 0.83 | CYP1A2 (0.50) | CYP1B1CYP2C19MAOBLMNAMAOA | |
| SCHEMBL31265280 | 0.83 | CYP1B1 (0.42) | CYP1B1CYP2C19MAOBLMNAMAOA | |
| SCHEMBL28659829 | 0.83 | CYP1A2 (0.50) | CYP1B1CYP2C19MAOBLMNAMAOA | |
| SCHEMBL28642907 | 0.81 | NFE2L2 (0.48) | HSD11B1TNFRSF1ANFE2L2CYP1A1CYP1B1 | |
| SCHEMBL30631887 | 0.81 | PTGS1 (0.40) | HSD11B1NFE2L2CYP2C19PTGS1EGFR |
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-114959750-B | Method for preparing (E) -2, 2-difluoro-4-phenylbut-3-ethyl enoate compound by electrocatalytic | 上海第二工业大学 | 2023-09-01 | — | — | CN | disclosed |
| CN-114959750-A | Method for preparing (E) -2, 2-difluoro-4-phenylbutan-3-ethyl enoate compound through electrocatalysis | 上海第二工业大学 | 2022-08-30 | — | — | CN | disclosed |