Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.39 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.39 |
| ▸ | GPR183 | P32249 | 2/20 | 0.39 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.39 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL31265280 | 1.00 | CYP1B1 (0.42) | CYP1B1ESR1ESR2CYP2C19SLC5A1 | |
| SCHEMBL28851997 | 0.83 | HSD11B1 (0.52) | CYP1B1CYP2C19SLC5A1SLC5A2LMNA | |
| SCHEMBL30583099 | 0.82 | CYP2C19 (0.56) | CYP1B1CYP2C19HDAC3HDAC1HDAC2 | |
| SCHEMBL28655879 | 0.82 | CYP2C19 (0.56) | CYP1B1CYP2C19HDAC3HDAC1HDAC2 | |
| SCHEMBL16595199 | 0.81 | CYP1A2 (0.50) | CYP1B1CYP2C19HDAC3HDAC1HDAC2 | |
| SCHEMBL28666870 | 0.81 | CYP1A2 (0.50) | CYP1B1CYP2C19HDAC3HDAC1HDAC2 | |
| SCHEMBL28852043 | 0.81 | CYP1B1 (0.47) | CYP1B1CYP2C19SLC5A1SLC5A2LMNA | |
| SCHEMBL28659829 | 0.81 | CYP1A2 (0.50) | CYP1B1CYP2C19HDAC3HDAC1HDAC2 | |
| SCHEMBL31265308 | 0.77 | ALDH1A1 (0.50) | GRIK1GRIK2HDAC1HDAC2HDAC8 | |
| SCHEMBL28664895 | 0.77 | THRB (0.57) | CYP1B1HDAC3HDAC1HDAC2HDAC8 |
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 1 patent. 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 |