Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Hexadecane. 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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.73 |
| ▸ | THRB | P10828 | 1/20 | 0.73 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.71 |
| ▸ | LMNA | P02545 | 3/20 | 0.71 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.71 |
| ▸ | MEN1 | O00255 | 1/20 | 0.71 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.71 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.64 |
| ▸ | DNM1 | Q05193 | 5/20 | 0.50 |
| ▸ | CES2 | O00748 | 3/20 | 0.50 |
| ▸ | CES1 | P23141 | 3/20 | 0.50 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Dodecane SCHEMBL1822133 | 1.00 | TSHR (0.73) | TSHRTHRBALDH1A1LMNAHSD17B10 | |
| Alcohol SCHEMBL5478963 | 1.00 | TSHR (0.73) | TSHRTHRBALDH1A1LMNAHSD17B10 | |
| Decane SCHEMBL8680306 | 1.00 | TSHR (0.73) | TSHRTHRBALDH1A1LMNAHSD17B10 | |
| Alcohol SCHEMBL1602280 | 1.00 | TSHR (0.73) | TSHRTHRBALDH1A1LMNAHSD17B10 | |
| Undecane SCHEMBL20397396 | 1.00 | TSHR (0.73) | TSHRTHRBALDH1A1LMNAHSD17B10 | |
| Heptane SCHEMBL23533257 | 1.00 | TSHR (0.73) | TSHRTHRBALDH1A1LMNAHSD17B10 | |
| Decane SCHEMBL424890 | 1.00 | TSHR (0.73) | TSHRTHRBALDH1A1LMNAHSD17B10 | |
| Heptane SCHEMBL3790328 | 1.00 | TSHR (0.73) | TSHRTHRBALDH1A1LMNAHSD17B10 | |
| Dodecane SCHEMBL5574546 | 1.00 | TSHR (0.73) | TSHRTHRBALDH1A1LMNAHSD17B10 | |
| Heptane SCHEMBL11152266 | 1.00 | TSHR (0.73) | TSHRTHRBALDH1A1LMNAHSD17B10 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230235368-A1 | Methods for Producing Designer Esters and Assessing Alcohol Acyltransferase Specificity for Ester Biosynthesis | UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) | 2023-07-27 | — | — | US | disclosed |
| CN-109897676-A | A kind of soybean oil/ethyl alcohol/tetrahydrofuran fuel combination suitable for diesel engine | 天津大学 | 2019-06-18 | — | — | CN | disclosed |
| CN-109897675-A | A kind of soybean oil/ethyl alcohol/PODE fuel combination suitable for diesel engine | 天津大学 | 2019-06-18 | — | — | CN | disclosed |
| CN-103277200-B | Combustion method of ethanol-diesel double direct injection engine | UNIV GUIYANG | 2015-07-22 | — | — | CN | disclosed |
| CN-103756737-A | Bio-based dimethoxyl alkane diesel oil and preparation method thereof | Inner mongolia jindi biomass co ltd | 2014-04-30 | — | — | CN | disclosed |
| CN-203321684-U | Ethyl alcohol and diesel oil double direct-injection engine | UNIV GUIYANG | 2013-12-04 | — | — | CN | disclosed |
| CN-103321761-A | Ethanol-diesel double-direct-injection engine | UNIV GUIYANG | 2013-09-25 | — | — | CN | disclosed |
| CN-103277200-A | Combustion method of ethanol-diesel double direct injection engine | UNIV GUIYANG | 2013-09-04 | — | — | CN | disclosed |
| US-20110032513-A1 | FLUID FLOW DEVICE, ASSEMBLY FOR DETERMINING AT LEAST ONE CHARACTERISTIC OF A PHYSICO-CHEMICAL SYSTEM THEREWITH | RHODIA OPERATIONS (FR) | 2011-02-10 | — | — | US | disclosed |
| EP-2076781-A1 | FLUID FLOW DEVICE, ASSEMBLY FOR DETERMINING AT LEAST ONE CHARACTERISTIC OF A PHYSICOCHEMICAL SYSTEM COMPRISING SUCH A DEVICE, CORRESPONDING DETERMINATION PROCESS AND SCREENING PROCESS | Rhodia Opérations (FR) | 2009-07-08 | — | — | EP | disclosed |
| WO-2008046989-A1 | FLUID FLOW DEVICE, ASSEMBLY FOR DETERMINING AT LEAST ONE CHARACTERISTIC OF A PHYSICOCHEMICAL SYSTEM COMPRISING SUCH A DEVICE, CORRESPONDING DETERMINATION PROCESS AND SCREENING PROCESS | RHODIA OPERATIONS (FR) | 2008-04-24 | — | — | WO | disclosed |
| CN-101065571-A | Method and apparatus for co-fuelling a diesel engine | JOHNSTON PAUL GERARD JOSEPH (AU) | 2007-10-31 | — | — | CN | disclosed |