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 | 4/20 | 0.52 |
| ▸ | ESR2 known ✓ | Q92731 | 4/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.60 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 3/20 | 0.41 |
| ▸ | CES1 | P23141 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
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 SCHEMBL29287419 | 1.00 | CYP3A4 (0.60) | CYP3A4TDP1ESR1ESR2CA2 | |
| Acetic Acid SCHEMBL132767 | 1.00 | CYP3A4 (0.60) | CYP3A4TDP1ESR1ESR2CA2 | |
| Acetic Acid SCHEMBL57505 | 1.00 | CYP3A4 (0.60) | CYP3A4TDP1ESR1ESR2CA2 | |
| Acetic Acid SCHEMBL7752539 | 0.98 | CYP3A4 (0.57) | CYP3A4TDP1ESR1ESR2CA2 | |
| Acetic Acid SCHEMBL3302716 | 0.98 | CYP3A4 (0.57) | CYP3A4TDP1ESR1ESR2CA2 | |
| Acetic Acid SCHEMBL28591790 | 0.98 | CYP3A4 (0.57) | CYP3A4TDP1ESR1ESR2CA2 | |
| Acetic Acid SCHEMBL3826322 | 0.95 | CYP3A4 (0.55) | CYP3A4TDP1ESR1ESR2CA2 | |
| Acetic Acid SCHEMBL8422529 | 0.95 | CYP3A4 (0.55) | CYP3A4TDP1ESR1ESR2CA2 | |
| Acetic Acid SCHEMBL8425843 | 0.95 | CYP3A4 (0.60) | CYP3A4TDP1ESR1ESR2CA2 | |
| Acetic Acid SCHEMBL8693165 | 0.95 | CYP3A4 (0.60) | CYP3A4TDP1ESR1ESR2CA2 |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116813452-A | Method for preparing dihydro-honokiol | 济南明微医药科技有限公司 | 2023-09-29 | — | — | CN | claimed |
| CN-116426295-A | Preparation method of side fluorine-containing terphenyl liquid crystal monomer | 河北凡克新材料有限公司 | 2023-07-14 | — | — | CN | claimed |
| EP-2617700-B1 | NOVEL FLUORINATED VINYL ETHER COMPOUND AND MANUFACTURING METHOD THEREFOR | UNIMATEC CO LTD (JP) | 2014-10-29 | — | — | EP | claimed |
| CN-117327102-A | KRAS inhibitor, preparation method and application thereof | 北京华森英诺生物科技有限公司 | 2024-01-02 | — | — | CN | disclosed |
| CN-116426295-A | Preparation method of side fluorine-containing terphenyl liquid crystal monomer | 河北凡克新材料有限公司 | 2023-07-14 | — | — | CN | disclosed |
| CN-108299553-B | Oxyntomodulin modifier | 博瑞生物医药（苏州）股份有限公司 | 2021-07-16 | — | — | CN | disclosed |
| EP-0993432-B1 | PROCESS FOR THE PREPARATION OF TRIFLUOROMETHYL ACETOPHENONE | BAYER AG (DE) | 2002-10-09 | — | — | EP | disclosed |
| US-6448406-B1 | IMPROVED PROCESS FOR PREPARATION OF TERFENADINE CARBOXYLIC ACID METABOLITE AND CAREBASTINE DERIVATIVES; HISTAMINE H1 RECEPTOR BLOCKING AND CALCIUM ANTAGONISTS; RESPIRATORY, ALLERGIC, AND CARDIOVASCULAR DISEASE STATES | ALBANY MOLECULAR RESEARCH, INC. | 2002-09-10 | — | — | US | disclosed |
| US-6420608-B1 | REACTION OF VINYL ETHER OR VINYL AMIDE WITH HALOGENATED AROMATIC COMPOUND | BAYER AKTIENGESELLSCHAFT (DE) | 2002-07-16 | — | — | US | disclosed |
| EP-0341773-B1 | Process for the preparation of lactones | SHELL INT RESEARCH (NL) | 1996-09-11 | — | — | EP | disclosed |
| EP-0282065-B1 | (PHENYLETHENYL) PHENYLPROPIONIC ACID AND ITS ESTER, AND METHOD FOR PRODUCING (BENZOYLPHENYL) PROPIONIC ACID OR ITS ESTER | NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) | 1992-05-27 | — | — | EP | disclosed |
| EP-0282063-B1 | 1-(3-VINYLPHENYL)-1-PHENYL-HYDROCARBONS AND METHOD FOR PRODUCING THE SAME | NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) | 1991-10-16 | — | — | EP | disclosed |
| US-4960906-A | Process for the preparation of lactones from higher alkenols | SHELL OIL COMPANY (US) | 1990-10-02 | — | — | US | disclosed |
| US-4937375-A | (Phenylethenyl)phenylpropionic acid and its ester, and method for producing (benzoylphenyl)propionic acid or its ester | NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) | 1990-06-26 | — | — | US | disclosed |
| EP-0341773-A1 | Process for the preparation of lactones | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1989-11-15 | — | — | EP | disclosed |
| US-4822934-A | CHEMICAL INTERMEDIATES; KETOPROFEN | NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) | 1989-04-18 | — | — | US | disclosed |
| EP-0282063-A1 | 1-(3-Vinylphenyl)-1-phenyl-hydrocarbons and method for producing the same | NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) | 1988-09-14 | — | — | EP | disclosed |
| EP-0282065-A2 | (Phenylethenyl) phenylpropionic acid and its ester, and method for producing (benzoylphenyl) propionic acid or its ester | NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) | 1988-09-14 | — | — | EP | disclosed |