Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3GNRHRMPLPDE3APDE3BPDE4APDE4BPDE4CPDE4DPPARASLC5A2
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 | |
|---|---|---|---|---|
| ▸ | PPARA known ✓ | Q07869 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | SLC5A7 | Q9GZV3 | 1/20 | 0.44 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.37 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.35 |
| ▸ | GABRR2 | P28476 | 2/20 | 0.35 |
| ▸ | BLM | P54132 | 2/20 | 0.35 |
| ▸ | GABRR3 | A8MPY1 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | APEX1 | P27695 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 2/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
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 SCHEMBL30119852 | 1.00 | LMNA (0.44) | LMNAMEN1KMT2ACYP3A4SLC5A7 | |
| (2E)-Hexenoic Acid SCHEMBL27795754 | 1.00 | LMNA (0.44) | LMNAMEN1KMT2ACYP3A4SLC5A7 | |
| Choline SCHEMBL27144611 | 0.90 | PTPN1 (0.50) | LMNAKMT2APTPN1BLMAPEX1 | |
| (2E)-Hexenoic Acid SCHEMBL27143116 | 0.85 | CA1 (0.52) | LMNAMEN1KMT2ACYP3A4SLC5A7 | |
| (2E)-Hexenoic Acid SCHEMBL29006108 | 0.83 | TSHR (0.44) | LMNATAS1R3TAS1R1PTPN1GABRR1 | |
| Maleic Acid SCHEMBL2355580 | 0.83 | LMNA (0.57) | LMNAMEN1KMT2ACYP3A4SLC5A7 | |
| Fumaric Acid SCHEMBL27141144 | 0.83 | LMNA (0.57) | LMNAMEN1KMT2ACYP3A4SLC5A7 | |
| Maleic Acid SCHEMBL9229485 | 0.83 | LMNA (0.57) | LMNAMEN1KMT2ACYP3A4SLC5A7 | |
| Fumaric Acid SCHEMBL2352045 | 0.83 | LMNA (0.57) | LMNAMEN1KMT2ACYP3A4SLC5A7 | |
| (2E)-Hexenoic Acid SCHEMBL17633240 | 0.83 | TSHR (0.48) | LMNATAS1R3TAS1R1PTPN1GABRR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024044526-A1 | RED BLOOD CELL-HITCHHIKING IONIC LIQUID COATED NANOPARTICLES FOR CROSSING THE BLOOD BRAIN BARRIER | UNIVERSITY OF MISSISSIPPI (US) | 2024-02-29 | — | — | WO | disclosed |