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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.46 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | CA12 | O43570 | 2/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | CA4 | P22748 | 2/20 | 0.45 |
| ▸ | CA6 | P23280 | 2/20 | 0.45 |
| ▸ | CA7 | P43166 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.45 |
| ▸ | CA3 | P07451 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.45 |
| ▸ | CA5A | P35218 | 1/20 | 0.45 |
| ▸ | SNCA | P37840 | 1/20 | 0.45 |
| ▸ | CSNK2B | P67870 | 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL11614470 | 0.94 | HTT (0.48) | HTTESR1ESR2TDP1MAPT | |
| SCHEMBL70459 | 0.89 | ESR1 (0.49) | HTTESR1ESR2TDP1MAPT | |
| Hydrochloric Acid SCHEMBL11424028 | 0.87 | ESR1 (0.47) | HTTESR1ESR2TDP1MAPT | |
| Hydrochloric Acid SCHEMBL28767777 | 0.85 | ESR1 (0.46) | HTTESR1ESR2TDP1MAPT | |
| Ethyl Acetate SCHEMBL29263170 | 0.84 | HSD17B2 (0.50) | ESR1ESR2MAPTKDM4ECA12 | |
| Benzoic Acid SCHEMBL7184961 | 0.84 | HTT (0.53) | HTTTDP1MAPTKDM4ECA12 | |
| Acetic Acid SCHEMBL7711008 | 0.82 | CSNK2A1 (0.44) | HTTESR1ESR2TDP1MAPT | |
| SCHEMBL14795733 | 0.78 | CYP3A4 (0.53) | HTTESR1ESR2MAPTCA12 | |
| SCHEMBL6934301 | 0.78 | CA2 (0.57) | HTTESR1ESR2TDP1MAPT | |
| SCHEMBL7538049 | 0.78 | PIM1 (0.53) | HTTESR1TDP1MAPTKDM4E |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6790967-B2 | PREPARING ALPHA-TOCOPHEROL BY THE CONDENSATION OF A PHYTOL WITH TRIMETHYLHYDROQUINONE IN A POLAR ESTER SOLVENT AND IN THE PRESENCE OF A BRONSTED ACID, A ZINC HALIDE AND WATER, THE WATER PREVENTING SIDE REACTIONS OF TMHQ AT THE BEGINNING | ADISSEO FRANCE S.A.S. (FR) | 2004-09-14 | — | — | US | claimed |
| EP-1114041-B1 | PROCESS FOR THE PREPARATION OF ALPHA-TOCOPHEROL ACETATE | AVENTIS ANIMAL NUTRITION SA (FR) | 2004-03-31 | — | — | EP | claimed |
| EP-1641772-B1 | MANUFACTURE OF TOCOPHEROLS USING A BISMUTH CATALYST | DSM IP ASSETS BV (NL) | 2008-12-31 | — | — | EP | disclosed |
| EP-1641772-A1 | MANUFACTURE OF TOCOPHEROLS USING A BISMUTH CATALYST | DSM IP Assets B.V. (NL) | 2006-04-05 | — | — | EP | disclosed |
| CN-1216879-C | Process for producing alpha-tocopheryl acetate | DEGUSSA (DE) | 2005-08-31 | — | — | CN | disclosed |
| WO-2005005407-A1 | MANUFACTURE OF TOCOPHEROLS USING A BISMUTH CATALYST | DSM IP ASSETS B.V. (NL) | 2005-01-20 | — | — | WO | disclosed |
| CN-1136211-C | Process for production of alpha-tocopherol esters | �������¹ɷ�����˾ | 2004-01-28 | — | — | CN | disclosed |
| US-6441249-B2 | ACID CATALYSIS OF ISOPHERONE, DISTILLATION, OXIDATION IN AMORPHOUS CARBON AND BASE FORMING 4-OXOISOPHORONE WHICH REACTS WITH ACID ANHYDRIDE/CARBOXYLIC ACID TO FORM COMPOUND HYDROLYZED TO TRIMETHYLHYDROQUINONE; EFFICIENCY; VITAMIN E | NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) | 2002-08-27 | — | — | US | disclosed |
| US-6320086-B1 | REACTING ISOPHORONE OVER ACID CATALYST, DISTILLING FORMED BETA-ISOPHORONE, OXIDIZING IN PRESENCE OF AMORPHOUS CARBON AND BASE TO 4-OXOISOPHORONE, REACTING IN VAPOR PHASE WITH CARBOXYLIC ACID USING SOLID ACID CATALYST, HYDROLYZING ESTER | NIPPON PETROCHEMICALS COMPANY LIMITED (JP) | 2001-11-20 | — | — | US | disclosed |
| CN-1315325-A | Process for producing alpha-tocopheryl acetate | DEGUSSA (DE) | 2001-10-03 | — | — | CN | disclosed |
| US-6239294-B1 | CONDENSATION A TRIMETHYLHYDROQUINONE DIESTER IN PRESENCE OF A CATALYST | DEGUSSA AG (DE) | 2001-05-29 | — | — | US | disclosed |
| US-6211418-B1 | DISTILLING ISOPHORONE WITH ACID CATALYST TO RECOVER BETA-ISOPHORONE, OXIDIZING IN PRESENCE OF AMORPHOUS CARBON AND BASE TO 4-OXOISOPHORONE, REACTING IN VAPOR PHASE WITH CARBOXYLIC ACID USING SOLID ACID CATALYST, HYDROLYZING | NIPPON PETROCHEMICALS COMPANY LIMITED (JP) | 2001-04-03 | — | — | US | disclosed |
| US-6048988-A | CYCLIZATION OF HYDROQUINONE ESTERS | DEGUSSA-HULS AG (DE) | 2000-04-11 | — | — | US | disclosed |
| CN-1224012-A | Process for production of alpha-tocopherol esters | DEGUSSA (DE) | 1999-07-28 | — | — | CN | disclosed |