Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of (2E)-Hexenoic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRR1 | P24046 | 4/20 | 0.43 |
| ▸ | GABRR2 | P28476 | 2/20 | 0.43 |
| ▸ | BLM | P54132 | 2/20 | 0.43 |
| ▸ | GABRR3 | A8MPY1 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | APEX1 | P27695 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.36 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.33 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 2/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| (2E)-Hexenoic Acid SCHEMBL27903034 | 0.92 | GABRR1 (0.50) | GABRR1GABRR2BLMGABRR3LMNA | |
| (2E)-Hexenoic Acid SCHEMBL28805831 | 0.84 | TSHR (0.54) | GABRR1GABRR2BLMGABRR3LMNA | |
| (2E)-Hexenoic Acid SCHEMBL29006108 | 0.82 | TSHR (0.44) | GABRR1GABRR2BLMGABRR3LMNA | |
| Monoethanolamine SCHEMBL28161971 | 0.80 | PTPN1 (0.57) | BLMLMNAAPEX1NPSR1TDP1 | |
| Monoethanolamine SCHEMBL1835962 | 0.80 | PTPN1 (0.57) | BLMLMNAAPEX1NPSR1TDP1 | |
| (2E)-Hexenoic Acid SCHEMBL28649890 | 0.80 | LPAR3 (0.46) | GABRR1GABRR2BLMGABRR3LMNA | |
| (2E)-Hexenoic Acid SCHEMBL3048610 | 0.79 | TSHR (0.50) | GABRR1GABRR2BLMGABRR3LMNA | |
| (2E)-Hexenoic Acid SCHEMBL23615 | 0.79 | — | — | |
| (2E)-Hexenoic Acid SCHEMBL23614 | 0.79 | — | — | |
| (2E)-Hexenoic Acid SCHEMBL27373174 | 0.79 | TSHR (0.50) | GABRR1GABRR2BLMGABRR3LMNA |
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-113677349-B | Structured molecular carriers for anti-inflammatory compounds and uses thereof | 克洛德贝纳尔-里昂第一大学 | 2024-03-19 | — | — | CN | disclosed |