Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Hexane. 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 | 0.46 |
| ▸ | CES2 | O00748 | 4/20 | 0.48 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.48 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.46 |
| ▸ | PPARG | P37231 | 7/20 | 0.46 |
| ▸ | PPARD | Q03181 | 7/20 | 0.46 |
| ▸ | PPARA | Q07869 | 7/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.46 |
| ▸ | TSHR | P16473 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.46 |
| ▸ | TLR2 | O60603 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | FABP4 | P15090 | 2/20 | 0.46 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.46 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | PDE4A | P27815 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Heptane SCHEMBL15662959 | 0.97 | CES2 (0.52) | CES2AKR1B1GPR84PPARGPPARD | |
| Hexane SCHEMBL9706708 | 0.97 | CES2 (0.46) | CES2AKR1B1GPR84PPARGPPARD | |
| Hexane SCHEMBL5754743 | 0.92 | CES2 (0.50) | CES2AKR1B1GPR84PPARGPPARD | |
| Cyclohexane SCHEMBL16097993 | 0.91 | CES2 (0.42) | CES2AKR1B1GPR84PPARGPPARD | |
| Octane SCHEMBL29221340 | 0.89 | CES2 (0.54) | CES2GPR84PPARGPPARDPPARA | |
| Hexane SCHEMBL438349 | 0.89 | ALDH1A1 (0.61) | CES2AKR1B1GPR84PPARGPPARD | |
| Hexane SCHEMBL28126978 | 0.89 | CES2 (0.41) | CES2AKR1B1GPR84PPARGPPARD | |
| Ether SCHEMBL28860809 | 0.89 | DNM1 (0.50) | CES2AKR1B1TSHRALDH1A1MEN1 | |
| Cetyl Alcohol SCHEMBL28004169 | 0.89 | TSHR (0.56) | CES2GPR84PPARGPPARDPPARA | |
| Ether SCHEMBL115545 | 0.88 | — | — |
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 348 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11976254-B2 | Free polyunsaturated fatty acid-containing composition and manufacturing method therefor | NISSUI CORPORATION (JP) | 2024-05-07 | — | — | US | disclosed |
| EP-4351362-A1 | PRODUCTION OF SATURATED FATS IN MICROBES | Nourish Ingredients Pty Ltd (AU) | 2024-04-17 | — | — | EP | disclosed |
| WO-2024050589-A1 | COMPOSITIONS AND METHODS FOR PRODUCING MEAT-LIKE AROMAS | Nourish Ingredients Pty Ltd (AU) | 2024-03-14 | — | — | WO | disclosed |
| WO-2024050588-A1 | COMPOSITIONS AND METHODS FOR PRODUCING AROMAS | Nourish Ingredients Pty Ltd (AU) | 2024-03-14 | — | — | WO | disclosed |
| WO-2024050591-A1 | COMPOSITIONS AND METHODS FOR PRODUCING FOOD PRODUCTS WITH MEAT-LIKE AROMAS | Nourish Ingredients Pty Ltd (AU) | 2024-03-14 | — | — | WO | disclosed |
| WO-2024050590-A1 | COMPOSITIONS AND METHODS FOR PRODUCING MEAT-LIKE AROMAS | Nourish Ingredients Pty Ltd (AU) | 2024-03-14 | — | — | WO | disclosed |
| US-11913006-B2 | Plants producing modified levels of medium chain fatty acids | Nuseed Global Innovation Ltd. (GB) | 2024-02-27 | — | — | US | disclosed |
| US-11913035-B2 | Modified seed oil content by gene editing | PIONEER HI-BRED INTERNATIONAL, INC. (US) | 2024-02-27 | — | — | US | disclosed |
| EP-4301162-A1 | PRODUCTION OF PHOSPHOLIPIDS IN MICROBES AND USES THEREOF | Nourish Ingredients Pty Ltd (AU) | 2024-01-10 | — | — | EP | disclosed |
| US-20230416186-A1 | LIPID COMPOSITIONS COMPRISING TRIACYLGLYCEROL WITH LONG-CHAIN POLYUNSATURATED FATTY ACIDS | COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) | 2023-12-28 | — | — | US | disclosed |
| WO-1993023392-A1 | IMIDAZOLES LINKED TO BICYCLIC HETEROCYCLIC GROUPS FOR THE TREATMENT OF ATHEROSCLEROSIS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-11-25 | — | — | WO | disclosed |
| WO-1993023381-A1 | IMIDAZOLES FOR THE TREATMENT OF ATHEROSCLEROSIS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-11-25 | — | — | WO | disclosed |
| EP-0565208-A1 | DNA fragment encoding OspA of Borrelia burgdorferi, vaccine and diagnostics comprising OspA encoded by the DNA fragment | SYMBICOM AB (SE) | 1993-10-13 | — | — | EP | disclosed |
| US-5166214-A | Enzyme inhibitors for anticholesterol agents, enzyme inhibitor and cardiovascular disorders | DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1992-11-24 | — | — | US | disclosed |
| EP-0429645-A4 | REDUCING THE SPREAD OF INFECTION BY BLOOD HANDLING EQUIPMENT | — | 1992-05-13 | — | — | EP | disclosed |
| EP-0465423-A2 | Antimicrobial fatty compositions | Research Foundation for Mental Hygiene, Inc. (US) | 1992-01-08 | — | — | EP | disclosed |
| EP-0429645-A1 | REDUCING THE SPREAD OF INFECTION BY BLOOD HANDLING EQUIPMENT | Research Foundation for Mental Hygiene, Inc. (US) | 1991-06-05 | — | — | EP | disclosed |
| WO-1990015601-A1 | REDUCING THE SPREAD OF INFECTION BY BLOOD HANDLING EQUIPMENT | RESEARCH FOUNDATION FOR MENTAL HYGIENE, INC. (US) | 1990-12-27 | — | — | WO | disclosed |
| EP-0161114-A2 | Compounds and compositions influential on the growth and yield of plants | UNILEVER N.V. (NL) | 1985-11-13 | — | — | EP | disclosed |
| US-4101588-A | HYDROFORMYLATION, CATALYST CONTAINING RHODIUM, CARBON MONOXIDE AND A TERTIARY PHOSPHINE OR PHOSPHITE | BASF AKTIENGESELLSCHAFT (DE) | 1978-07-18 | — | — | US | disclosed |