Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic 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 | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 5/20 | 0.69 |
| ▸ | PPARG | P37231 | 5/20 | 0.58 |
| ▸ | PPARA | Q07869 | 5/20 | 0.58 |
| ▸ | TERT | O14746 | 3/20 | 0.57 |
| ▸ | PPARD | Q03181 | 3/20 | 0.57 |
| ▸ | TOP1 | P11387 | 3/20 | 0.57 |
| ▸ | MAPT | P10636 | 2/20 | 0.57 |
| ▸ | BLM | P54132 | 2/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.57 |
| ▸ | FABP4 | P15090 | 2/20 | 0.57 |
| ▸ | GMNN | O75496 | 1/20 | 0.57 |
| ▸ | USP2 | O75604 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.57 |
| ▸ | APEX1 | P27695 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | RECQL | P46063 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL5582256 | 1.00 | PTPN1 (0.69) | PTPN1PPARGPPARATERTPPARD | |
| Acetic Acid SCHEMBL4631699 | 1.00 | PTPN1 (0.69) | PTPN1PPARGPPARATERTPPARD | |
| Acetic Acid SCHEMBL5582257 | 1.00 | PTPN1 (0.69) | PTPN1PPARGPPARATERTPPARD | |
| Acetic Acid SCHEMBL5945545 | 0.98 | PTPN1 (0.66) | PTPN1PPARGPPARATERTPPARD | |
| Acetic Acid SCHEMBL5945549 | 0.98 | PTPN1 (0.66) | PTPN1PPARGPPARATERTPPARD | |
| SCHEMBL23116282 | 0.96 | PTPN1 (0.68) | PTPN1PPARGPPARATERTPPARD | |
| SCHEMBL23116355 | 0.96 | PTPN1 (0.68) | PTPN1PPARGPPARATERTPPARD | |
| SCHEMBL23116360 | 0.96 | PTPN1 (0.68) | PTPN1PPARGPPARATERTPPARD | |
| SCHEMBL23116328 | 0.96 | PTPN1 (0.68) | PTPN1PPARGPPARATERTPPARD | |
| SCHEMBL23802594 | 0.96 | PTPN1 (0.68) | PTPN1PPARGPPARATERTPPARD |
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 |