Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of 3-Octanol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 8/20 | 0.61 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.59 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.52 |
| ▸ | FAAH | O00519 | 2/20 | 0.47 |
| ▸ | LCK | P06239 | 1/20 | 0.47 |
| ▸ | PPARD | Q03181 | 1/20 | 0.47 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.47 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| 3-Heptanol SCHEMBL125720 | 0.93 | CA2 (0.52) | GPR84FFAR1FFAR4MAPTNFKB1 | |
| 3-Octanol SCHEMBL27495923 | 0.89 | GPR84 (0.53) | GPR84FFAR1FFAR4MAPTNFKB1 | |
| Acetic Acid SCHEMBL28392186 | 0.88 | FFAR1 (0.73) | GPR84FFAR1FFAR4MAPTNFKB1 | |
| Acetic Acid SCHEMBL28707278 | 0.88 | FFAR1 (0.73) | GPR84FFAR1FFAR4MAPTNFKB1 | |
| Acetic Acid SCHEMBL4019504 | 0.88 | FFAR1 (0.73) | GPR84FFAR1FFAR4MAPTNFKB1 | |
| Acetic Acid SCHEMBL29020019 | 0.88 | FFAR1 (0.73) | GPR84FFAR1FFAR4MAPTNFKB1 | |
| 3-Octanol SCHEMBL112339 | 0.88 | — | — | |
| 3-Octanol SCHEMBL6826944 | 0.88 | — | — | |
| 3-Octanol SCHEMBL6826458 | 0.88 | — | — | |
| 3-Octanol SCHEMBL38664638 | 0.87 | FFAR4 (0.71) | GPR84FFAR1FFAR4NFKB1FAAH |
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-113950465-B | Sandalwood type spice compound | 西姆莱斯股份公司 | 2024-09-20 | — | — | CN | disclosed |
| CN-113167695-A | Device for collecting volatile organic compounds | 法国由内政部代表 | 2021-07-23 | — | — | CN | disclosed |
| WO-2008076041-A1 | AZETIDINAZABICYCLO [3.2.1] OCTAN DERIVATIVES THAT ARE NEUROKININ (NK) RECEPTOR ANTAGONISTS AND THEIR USE. | ALBIREO AB (SE) | 2008-06-26 | — | — | WO | disclosed |
| US-20080032913-A1 | Masking of mineral oil odor and fragrancing of mineral oils | SYMRISE GMBH & CO. KG (DE) | 2008-02-07 | — | — | US | disclosed |