Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Octanoic 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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.57 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.57 |
| ▸ | PPARG | P37231 | 7/20 | 0.57 |
| ▸ | PPARD | Q03181 | 7/20 | 0.57 |
| ▸ | PPARA | Q07869 | 7/20 | 0.57 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.57 |
| ▸ | TSHR | P16473 | 4/20 | 0.57 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | TLR2 | O60603 | 2/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.57 |
| ▸ | FABP4 | P15090 | 2/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.57 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.57 |
| ▸ | PDE4A | P27815 | 1/20 | 0.57 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| Stearic Acid SCHEMBL9838326 | 0.97 | GPR84 (0.61) | GPR84PPARGPPARDPPARAHDAC11 | |
| Decanoic Acid SCHEMBL29110561 | 0.97 | GPR84 (0.61) | GPR84PPARGPPARDPPARAHDAC11 | |
| Heptanoate SCHEMBL28079349 | 0.97 | GPR84 (0.61) | GPR84PPARGPPARDPPARAHDAC11 | |
| Octanoic Acid SCHEMBL9716549 | 0.97 | GPR84 (0.61) | GPR84PPARGPPARDPPARAHDAC11 | |
| Octanoic Acid SCHEMBL9716545 | 0.97 | GPR84 (0.61) | GPR84PPARGPPARDPPARAHDAC11 | |
| Hexanoate SCHEMBL27759576 | 0.95 | AKR1B1 (0.59) | GPR84PPARGPPARDPPARAHDAC11 | |
| Hexanoate SCHEMBL10407332 | 0.95 | AKR1B1 (0.59) | GPR84PPARGPPARDPPARAHDAC11 | |
| Resorcinol SCHEMBL8650701 | 0.88 | HDAC6 (0.53) | HDAC11TSHRALDH1A1HSD17B10FFAR1 | |
| Resorcinol SCHEMBL8652804 | 0.88 | HDAC6 (0.53) | HDAC11TSHRALDH1A1HSD17B10FFAR1 | |
| Pimelic Acid SCHEMBL8653232 | 0.88 | HDAC6 (0.53) | HDAC11TSHRALDH1A1HSD17B10FFAR1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0252724-B1 | METHOD OF ESTERIFYING DIHYDROXYBENZENES | The Clorox Company (US) | 1992-12-30 | — | — | EP | disclosed |
| EP-0185522-B1 | PHENYLENE MIXED DIESTER PERACID PRECURSORS | The Clorox Company (US) | 1990-11-07 | — | — | EP | disclosed |
| US-4964870-A | AND HYDROGEN PEROXIDE | THE CLOROX COMPANY (US) | 1990-10-23 | — | — | US | disclosed |
| US-4814110-A | MONOESTERIFICATION WITH ONE ANHYDRIDE, ESTERIFICATION WITH SECOND ANHYDRIDE | THE CLOROX COMPANY (US) | 1989-03-21 | — | — | US | disclosed |
| EP-0252724-A2 | Method of esterifying dihydroxybenzenes | The Clorox Company (US) | 1988-01-13 | — | — | EP | disclosed |
| EP-0185522-A2 | Phenylene mixed diester peracid precursors | The Clorox Company (US) | 1986-06-25 | — | — | EP | disclosed |