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 | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 7/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
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 SCHEMBL30315835 | 1.00 | MAPT (0.43) | MAPTKDM4EMEN1KMT2AUSP2 | |
| Acetic Acid SCHEMBL8016975 | 1.00 | MAPT (0.43) | MAPTKDM4EMEN1KMT2AUSP2 | |
| Bicarbonate SCHEMBL11611153 | 0.93 | MAPT (0.45) | MAPTKDM4EMEN1KMT2AUSP2 | |
| Bicarbonate SCHEMBL28002530 | 0.93 | MAPT (0.45) | MAPTKDM4EMEN1KMT2AUSP2 | |
| SCHEMBL2562811 | 0.88 | ACHE (0.48) | MAPTKDM4EMEN1KMT2AUSP2 | |
| SCHEMBL70458 | 0.88 | ACHE (0.48) | MAPTKDM4EMEN1KMT2AUSP2 | |
| SCHEMBL29372751 | 0.88 | ACHE (0.48) | MAPTKDM4EMEN1KMT2AUSP2 | |
| SCHEMBL28002529 | 0.87 | MAPT (0.41) | MAPTKDM4EMEN1KMT2AUSP2 | |
| SCHEMBL31139063 | 0.85 | MT-CO2 (0.40) | MAPTKDM4EMEN1KMT2AUSP2 | |
| Pivalate SCHEMBL7080298 | 0.85 | MAPT (0.39) | MAPTKDM4EMEN1KMT2AUSP2 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018108606-A1 | PROCESS FOR THE MANUFACTURE OF 6,10-DIMETHYLUNDECAN-2-ONE, ISOPHYTOL, ALPHA-TOCOPHEROL (ACETATE) AND FURTHER INTERMEDIATES THEREOF | DSM IP ASSETS B.V. (NL) | 2018-06-21 | — | — | WO | claimed |
| 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 |
| WO-2018108606-A1 | PROCESS FOR THE MANUFACTURE OF 6,10-DIMETHYLUNDECAN-2-ONE, ISOPHYTOL, ALPHA-TOCOPHEROL (ACETATE) AND FURTHER INTERMEDIATES THEREOF | DSM IP ASSETS B.V. (NL) | 2018-06-21 | — | — | WO | disclosed |
| 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 |