Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL9120778 | 0.87 | ALDH1A1 (0.43) | ALDH1A1SLC6A2CES1LMNA | |
| SCHEMBL28882524 | 0.86 | ALDH1A1 (0.44) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| SCHEMBL9119441 | 0.85 | ALDH1A1 (0.42) | ALDH1A1SLC6A2CES1LMNA | |
| SCHEMBL28303524 | 0.85 | FAAH (0.49) | CES1L3MBTL1 | |
| SCHEMBL22296453 | 0.83 | FAAH (0.51) | CES1L3MBTL1 | |
| Hydrochloric Acid SCHEMBL14833270 | 0.80 | TAAR1 (0.48) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| SCHEMBL144712 | 0.80 | ALDH1A1 (0.48) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| SCHEMBL315316 | 0.80 | ALDH1A1 (0.48) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| SCHEMBL24307776 | 0.79 | CYP1A2 (0.48) | ALDH1A1ALOX15TAAR1TDP1CYP2A6 | |
| SCHEMBL13851699 | 0.79 | ALDH1A1 (0.38) | ALDH1A1HPGDALOX15ALOX12CASP1 |
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-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 |
| 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 |
| 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 |
| CN-114133329-A | Cis-configuration 2, 2-difluoro-4-phenylbutan-3-ethyl enoate compound and preparation method thereof | 上海大学 | 2022-03-04 | — | — | CN | disclosed |
| CN-114133329-A | Cis-configuration 2, 2-difluoro-4-phenylbutan-3-ethyl enoate compound and preparation method thereof | 上海大学 | 2022-03-04 | — | — | CN | disclosed |
| CN-114133329-A | Cis-configuration 2, 2-difluoro-4-phenylbutan-3-ethyl enoate compound and preparation method thereof | 上海大学 | 2022-03-04 | — | — | CN | disclosed |