Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.48 |
| ▸ | PLIN1 | O60240 | 2/20 | 0.48 |
| ▸ | RECQL | P46063 | 2/20 | 0.48 |
| ▸ | PLIN5 | Q00G26 | 2/20 | 0.48 |
| ▸ | ABHD5 | Q8WTS1 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.48 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.48 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.48 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.48 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
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 | 1.00 | CYP2C19 (0.56) | CYP2C19HDAC1LMNAMAPTHDAC3 | |
| SCHEMBL28851997 | 0.84 | HSD11B1 (0.52) | CYP2C19LMNAALDH1A1MAOBCYP1B1 | |
| SCHEMBL28851979 | 0.82 | CYP1B1 (0.42) | CYP2C19HDAC1LMNAMAPTHDAC3 | |
| SCHEMBL28852043 | 0.82 | CYP1B1 (0.47) | CYP2C19LMNAMAPTALDH1A1MAOB | |
| SCHEMBL28659829 | 0.82 | CYP1A2 (0.50) | CYP2C19HDAC1LMNAMAPTHDAC3 | |
| SCHEMBL28666870 | 0.82 | CYP1A2 (0.50) | CYP2C19HDAC1LMNAMAPTHDAC3 | |
| SCHEMBL31265280 | 0.82 | CYP1B1 (0.42) | CYP2C19HDAC1LMNAMAPTHDAC3 | |
| SCHEMBL16595199 | 0.82 | CYP1A2 (0.50) | CYP2C19HDAC1LMNAMAPTHDAC3 | |
| SCHEMBL26928617 | 0.82 | NFE2L2 (0.55) | CYP2C19MAOBMMP1MMP2MMP9 | |
| SCHEMBL31265306 | 0.81 | CYP1A2 (0.56) | CYP2C19LMNAALDH1A1CYP1A2CYP2D6 |
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-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 | claimed |
| 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-114133329-B | Cis-configuration 2, 2-difluoro-4-phenylbut-3-ethyl enoate compound and preparation method thereof | 上海大学 | 2023-07-18 | — | — | CN | disclosed |
| CN-113511972-A | (E) Preparation method of (E) -4-aryl-2, 2-difluoro-3-butenoic acid derivative | 昆明理工大学 | 2021-10-19 | — | — | CN | disclosed |