Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Hexanoate. 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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.84 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.89 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.84 |
| ▸ | PPARG | P37231 | 7/20 | 0.84 |
| ▸ | PPARD | Q03181 | 7/20 | 0.84 |
| ▸ | PPARA | Q07869 | 7/20 | 0.84 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.84 |
| ▸ | TSHR | P16473 | 4/20 | 0.84 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.84 |
| ▸ | FABP4 | P15090 | 3/20 | 0.84 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.84 |
| ▸ | TLR2 | O60603 | 2/20 | 0.84 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.84 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.84 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.84 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.84 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.84 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.84 |
| ▸ | MEN1 | O00255 | 1/20 | 0.84 |
| ▸ | PDE4A | P27815 | 1/20 | 0.84 |
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 | |
|---|---|---|---|---|
| Hexanoate SCHEMBL385943 | 1.00 | AKR1B1 (0.89) | AKR1B1GPR84PPARGPPARDPPARA | |
| Hexanoate SCHEMBL1238288 | 1.00 | AKR1B1 (0.89) | AKR1B1GPR84PPARGPPARDPPARA | |
| Hexanoate SCHEMBL386272 | 1.00 | AKR1B1 (0.89) | AKR1B1GPR84PPARGPPARDPPARA | |
| Decanoic Acid SCHEMBL386211 | 0.97 | GPR84 (0.90) | AKR1B1GPR84PPARGPPARDPPARA | |
| Octanoic Acid SCHEMBL1235050 | 0.97 | GPR84 (0.90) | AKR1B1GPR84PPARGPPARDPPARA | |
| Heptanoate SCHEMBL5078565 | 0.97 | GPR84 (0.90) | AKR1B1GPR84PPARGPPARDPPARA | |
| Myristic Acid SCHEMBL502433 | 0.97 | GPR84 (0.90) | AKR1B1GPR84PPARGPPARDPPARA | |
| Octanoic Acid SCHEMBL5136070 | 0.97 | GPR84 (0.90) | AKR1B1GPR84PPARGPPARDPPARA | |
| Heptanoate SCHEMBL385003 | 0.97 | GPR84 (0.90) | AKR1B1GPR84PPARGPPARDPPARA | |
| Myristic Acid SCHEMBL6253364 | 0.97 | GPR84 (0.90) | AKR1B1GPR84PPARGPPARDPPARA |
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-117337137-A | Use of a mixture comprising glycerol and glycerides of organic acids in agriculture and forestry | A·保利 | 2024-01-02 | — | — | CN | disclosed |
| EP-1622953-B1 | METHOD FOR PRODUCING BLOCK COPOLYMERS FOR TYRE TREAD COMPOSITIONS, AND CORRESPONDING COPOLYMERS | MICHELIN SOC TECH (FR) | 2012-03-21 | — | — | EP | disclosed |
| EP-1622953-A1 | METHOD FOR PRODUCING BLOCK COPOLYMERS FOR TYRE TREAD COMPOSITIONS, AND CORRESPONDING COPOLYMERS | Société de Technologie Michelin (FR) | 2006-02-08 | — | — | EP | disclosed |
| WO-2004099277-A1 | METHOD FOR PRODUCING BLOCK COPOLYMERS FOR TYRE TREAD COMPOSITIONS, AND CORRESPONDING COPOLYMERS | SOCIETE DE TECHNOLOGIE MICHELIN (FR) | 2004-11-18 | — | — | WO | disclosed |