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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | PAOX | Q6QHF9 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA6 | P23280 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
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 SCHEMBL27888297 | 1.00 | ALDH1A1 (0.38) | ALDH1A1GAASMN1; SMN2TSHRMAPT | |
| Acetic Acid SCHEMBL27984383 | 0.98 | ALDH1A1 (0.40) | ALDH1A1GAASMN1; SMN2TSHRMAPT | |
| Acetic Acid SCHEMBL27719559 | 0.96 | ALDH1A1 (0.42) | ALDH1A1GAASMN1; SMN2TSHRMAPT | |
| Acetic Acid SCHEMBL19991790 | 0.92 | PAOX (0.47) | ALDH1A1GAATSHRMAPTPAOX | |
| SCHEMBL723199 | 0.84 | — | — | |
| Allylamine SCHEMBL4317227 | 0.83 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2TSHRMAPTKDM4E | |
| Allylamine SCHEMBL21268032 | 0.83 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2TSHRMAPTKDM4E | |
| Allylamine SCHEMBL27826020 | 0.83 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2TSHRMAPTKDM4E | |
| Acetic Acid SCHEMBL28451525 | 0.82 | SMN1; SMN2 (0.41) | ALDH1A1GAASMN1; SMN2TSHRMAPT | |
| Acetic Acid SCHEMBL968509 | 0.82 | SMN1; SMN2 (0.41) | ALDH1A1GAASMN1; SMN2TSHRMAPT |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115999628-A | Hydrocracking catalyst, preparation method and application thereof, and aromatic-rich cracking distillate hydrocracking method | 中国石油化工股份有限公司 | 2023-04-25 | — | — | CN | claimed |
| CN-104178287-A | Composition of cotton picker's cleaning agent and emulsion containing composition | CHINA PETROLEUM & CHEMICAL | 2014-12-03 | — | — | CN | claimed |
| CN-117342912-A | Method for producing BTX from aromatic-rich light pyrolysis distillate | 中国石油化工股份有限公司 | 2024-01-05 | — | — | CN | disclosed |
| CN-115999628-A | Hydrocracking catalyst, preparation method and application thereof, and aromatic-rich cracking distillate hydrocracking method | 中国石油化工股份有限公司 | 2023-04-25 | — | — | CN | disclosed |
| CN-108385116-B | A kind of acid-washing stainless steel passivating solution and preparation method thereof | 吉林省聚德管道有限公司 | 2019-07-12 | — | — | CN | disclosed |
| CN-108385116-A | A kind of acid-washing stainless steel passivating solution and preparation method thereof | 蒋春霞 | 2018-08-10 | — | — | CN | disclosed |
| CN-104178287-A | Composition of cotton picker's cleaning agent and emulsion containing composition | CHINA PETROLEUM & CHEMICAL | 2014-12-03 | — | — | CN | disclosed |
| CN-104178287-A | Composition of cotton picker's cleaning agent and emulsion containing composition | CHINA PETROLEUM & CHEMICAL | 2014-12-03 | — | — | CN | disclosed |
| CN-102257110-B | Surfactant mixture comprising branched short-chained and branched long-chained components | BASF SE | 2014-03-05 | — | — | CN | disclosed |
| CN-102822329-A | Builder composition | BASF SE | 2012-12-12 | — | — | CN | disclosed |
| CN-102257110-A | Surfactant mixture comprising branched short-chained and branched long-chained components | BASF SE | 2011-11-23 | — | — | CN | disclosed |
| CN-100556961-C | A kind of core-shell type complex particle and preparation method thereof | UNIV WUHAN TECH (CN) | 2009-11-04 | — | — | CN | disclosed |
| CN-100535061-C | Method and equipment for preparing shell type magnetic compound particles of organic matter / carbonyl iron core through dry process | WUHAN TECH UNIV TIANYI CO LTD (CN) | 2009-09-02 | — | — | CN | disclosed |
| CN-1958678-A | Method and equipment for preparing shell type magnetic compound particles of organic matter / carbonyl iron core through dry process | UNIV WUHAN TECH (CN) | 2007-05-09 | — | — | CN | disclosed |
| CN-1952021-A | Core-shell type complex particle and its preparing process | UNIV WUHAN TECH (CN) | 2007-04-25 | — | — | CN | disclosed |
| US-6235704-B1 | BIODEGRADABLE | BASF AKTIENGESELLSCHAFT (DE) | 2001-05-22 | — | — | US | disclosed |
| US-6225278-B1 | CHELATING AGENTS; EFFICIENCY | BASF AKTIENGESELLSCHAFT (DE) | 2001-05-01 | — | — | US | disclosed |