Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of 2-Ethylhexanoic 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 | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 6/20 | 0.74 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.74 |
| ▸ | CA1 | P00915 | 4/20 | 0.50 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.49 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.49 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.48 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| 2-Ethylhexanoic Acid SCHEMBL4631110 | 0.96 | CA2 (0.80) | CA2MAPK1CA1SLC1A2SLC1A1 | |
| Butyric Acid SCHEMBL8469380 | 0.91 | CA2 (0.70) | CA2MAPK1SLC1A2SLC1A1HDAC1 | |
| 2-Ethylhexanoic Acid SCHEMBL3176060 | 0.90 | CA2 (0.91) | CA2MAPK1CA1SLC1A2SLC1A1 | |
| Butyric Acid SCHEMBL4630360 | 0.90 | HDAC1 (0.59) | CA2MAPK1SLC1A2SLC1A1SLC1A3 | |
| Dodecanoate SCHEMBL11180628 | 0.89 | CA2 (0.69) | CA2MAPK1TDP1AKR1B1GPR84 | |
| Dodecanoate SCHEMBL11170821 | 0.89 | CA2 (0.69) | CA2MAPK1TDP1AKR1B1GPR84 | |
| 2-Ethylhexanoic Acid SCHEMBL10545013 | 0.89 | CA2 (0.69) | CA2MAPK1TDP1AKR1B1GPR84 | |
| 2-Ethylhexanoic Acid SCHEMBL29212613 | 0.89 | CA2 (0.69) | CA2MAPK1CA1SLC1A2SLC1A1 | |
| Butyric Acid SCHEMBL3040683 | 0.89 | CA2 (0.68) | CA2MAPK1SLC1A2SLC1A1TDP1 | |
| Butyric Acid SCHEMBL2898631 | 0.89 | CA2 (0.68) | CA2MAPK1SLC1A2SLC1A1TDP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1924240-A1 | PERSONAL CARE PRODUCTS INCORPORATING CELLULOSIC FATTY ACID ESTERS | EASTMAN CHEMICAL COMPANY (US) | 2008-05-28 | — | — | EP | disclosed |
| WO-2007033252-A1 | PERSONAL CARE PRODUCTS INCORPORATING CELLULOSIC FATTY ACID ESTERS | EASTMAN CHEMICAL COMPANY (US) | 2007-03-22 | — | — | WO | disclosed |
| US-20070053855-A1 | Personal care products incorporating cellulosic fatty acid esters | EASTMAN CHEMICAL COMPANY | 2007-03-08 | — | — | US | disclosed |