Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.53 |
| ▸ | PPARG | P37231 | 7/20 | 0.53 |
| ▸ | PPARD | Q03181 | 7/20 | 0.53 |
| ▸ | PPARA | Q07869 | 7/20 | 0.53 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.53 |
| ▸ | TSHR | P16473 | 4/20 | 0.53 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | TLR2 | O60603 | 2/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.53 |
| ▸ | FABP4 | P15090 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.53 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | ESR1 | P03372 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | PDE4A | P27815 | 1/20 | 0.53 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| Undecanoate SCHEMBL7057712 | 1.00 | GPR84 (0.53) | GPR84PPARGPPARDPPARAHDAC11 | |
| Stearic Acid SCHEMBL7019438 | 1.00 | GPR84 (0.53) | GPR84PPARGPPARDPPARAHDAC11 | |
| Hexanoate SCHEMBL8208200 | 0.98 | AKR1B1 (0.52) | GPR84PPARGPPARDPPARAHDAC11 | |
| Hexanoate SCHEMBL8583304 | 0.94 | ALDH1A1 (0.50) | GPR84PPARGPPARDPPARAHDAC11 | |
| Valeric Acid SCHEMBL27767030 | 0.94 | ALDH1A1 (0.48) | GPR84PPARGPPARDPPARAHDAC11 | |
| Valeric Acid SCHEMBL14635601 | 0.92 | ALDH1A1 (0.47) | GPR84PPARGPPARDPPARAHDAC11 | |
| Adipic Acid SCHEMBL5313716 | 0.92 | ALDH1A1 (0.50) | ALDH1A1TDP1FABP4KMT2AMAPT | |
| Glutarate SCHEMBL31490757 | 0.89 | KMT2A (0.49) | TSHRALDH1A1TDP1KMT2AMAPT | |
| Octane SCHEMBL8462698 | 0.88 | MCHR1 (0.56) | TSHRALDH1A1TDP1MAPTS1PR3 | |
| Dodecane SCHEMBL7126605 | 0.88 | MCHR1 (0.56) | TSHRALDH1A1TDP1MAPTS1PR3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0988283-A2 | PEROXYACIDS | UNILEVER PLC (GB) | 2000-03-29 | — | — | EP | disclosed |
| WO-1998056760-A1 | PEROXYACIDS | UNILEVER PLC (GB) | 1998-12-17 | — | — | WO | disclosed |