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 | 0.54 |
| ▸ | ESR2 known ✓ | Q92731 | 4/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.63 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.63 |
| ▸ | CES2 | O00748 | 4/20 | 0.42 |
| ▸ | CES1 | P23141 | 4/20 | 0.42 |
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
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 SCHEMBL3142612 | 1.00 | CYP3A4 (0.63) | CYP3A4TDP1ESR1ESR2CES2 | |
| Acetic Acid SCHEMBL1076750 | 1.00 | CYP3A4 (0.63) | CYP3A4TDP1ESR1ESR2CES2 | |
| Acetic Acid SCHEMBL632054 | 1.00 | CYP3A4 (0.63) | CYP3A4TDP1ESR1ESR2CES2 | |
| Acetic Acid SCHEMBL30662640 | 1.00 | CYP3A4 (0.63) | CYP3A4TDP1ESR1ESR2CES2 | |
| Acetic Acid SCHEMBL21332588 | 0.97 | CYP3A4 (0.60) | CYP3A4TDP1ESR1ESR2CES2 | |
| Acetic Acid SCHEMBL7629010 | 0.97 | CYP3A4 (0.67) | CYP3A4TDP1ESR1ESR2CES2 | |
| Acetic Acid SCHEMBL158139 | 0.97 | CYP3A4 (0.67) | CYP3A4TDP1ESR1ESR2CES2 | |
| Acetic Acid SCHEMBL8050008 | 0.97 | CYP3A4 (0.67) | CYP3A4TDP1ESR1ESR2CES2 | |
| Acetic Acid SCHEMBL6135660 | 0.97 | CYP3A4 (0.67) | CYP3A4TDP1ESR1ESR2CES2 | |
| Acetic Acid SCHEMBL28563070 | 0.97 | CYP3A4 (0.67) | CYP3A4TDP1ESR1ESR2CES2 |
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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113956294-B | Special flame retardant for polyoxymethylene and preparation method thereof | 东莞市道尔新材料科技有限公司 | 2023-04-28 | — | — | CN | claimed |
| CN-114014799-A | Production process of 2, 2-bipyridine | 安徽国星生物化学有限公司 | 2022-02-08 | — | — | CN | claimed |
| CN-113956294-A | Novel special polyformaldehyde flame retardant and preparation method thereof | 东莞市道尔新材料科技有限公司 | 2022-01-21 | — | — | CN | claimed |
| CN-110665497-A | Graphene nanoribbon supported palladium monatomic catalyst and preparation method thereof | 塞文科技(上海)有限公司 | 2020-01-10 | — | — | CN | claimed |
| US-8945244-B2 | Method and composition for improving fuel combustion | CARROLL & ASSOCIATES LLC | 2015-02-03 | — | — | US | claimed |
| US-20130118065-A1 | METHOD AND COMPOSITION FOR IMPROVING FUEL COMBUSTION | CARROLL & ASSOCIATES LLC | 2013-05-16 | — | — | US | claimed |
| US-8287607-B2 | Method and composition for improving fuel combustion | CARROLL & ASSOCIATES LLC | 2012-10-16 | — | — | US | claimed |
| US-20090282730-A1 | METHOD AND COMPOSITION FOR IMPROVING FUEL COMBUSTION | CARROLL & ASSOCIATES LLC | 2009-11-19 | — | — | US | claimed |
| EP-2093275-A2 | Method and composition for improving fuel combustion | Carroll & Associates LLC (US) | 2009-08-26 | — | — | EP | claimed |
| EP-1461402-B1 | METHOD AND COMPOSITION FOR IMPROVING FUEL COMBUSTION | CARROLL ASSOCIATES LLC (US) | 2009-05-27 | — | — | EP | claimed |
| US-7503944-B2 | Method and composition for improving fuel combustion | CARROLL & ASSOCIATES LLC | 2009-03-17 | — | — | US | claimed |
| CN-113956294-B | Special flame retardant for polyoxymethylene and preparation method thereof | 东莞市道尔新材料科技有限公司 | 2023-04-28 | — | — | CN | disclosed |
| WO-2022270527-A1 | NEGATIVE PHOTOSENSITIVE RESIN COMPOSITION, NEGATIVE PHOTOSENSITIVE POLMER, CURED FILM AND SEMICONDUCTOR DEVICE | 住友ベークライト株式会社 | 2022-12-29 | — | — | WO | disclosed |
| WO-2022270529-A1 | NEGATIVE PHOTOSENSITIVE POLYMER, POLYMER SOLUTION, NEGATIVE PHOTOSENSITIVE RESIN COMPOSITION, CURED FILM, AND SEMICONDUCTOR DEVICE | 住友ベークライト株式会社 | 2022-12-29 | — | — | WO | disclosed |
| CN-114450085-A | SRCC as catalytic support for metallic substances | OMYA国际股份公司 | 2022-05-06 | — | — | CN | disclosed |
| EP-0289327-B1 | STEROID 5-ALPHA-REDUCTASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 1991-12-18 | — | — | EP | disclosed |
| US-5017568-A | Enzyme inhibitors, carboxylation | SMITHKLINE BEECHAM CORPORATION (US) | 1991-05-21 | — | — | US | disclosed |
| EP-0218100-B1 | CONJUGATED ALKADIENE TELOMERIZATION TO ORGANO-OXYALKADIENES | QUANTUM CHEMICAL CORPORATION (a Virginia corp.) (US) | 1989-11-29 | — | — | EP | disclosed |
| EP-0218100-A1 | Conjugated alkadiene telomerization to organo-oxyalkadienes | QUANTUM CHEMICAL CORPORATION (a Virginia corp.) (US) | 1987-04-15 | — | — | EP | disclosed |
| US-4642392-A | Conjugated alkadiene telomerization to organo-oxyalkadienes | NATIONAL DISTILLERS AND CHEMICAL CORPORATION (US) | 1987-02-10 | — | — | US | disclosed |