Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid Methyl Ester. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MGAM | O43451 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | SI | P14410 | 2/20 | 0.41 |
| ▸ | MGAM2 | Q2M2H8 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 7/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | THPO | P40225 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.32 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.32 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
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 Methyl Ester SCHEMBL8854353 | 0.97 | ALDH1A1 (0.67) | ALDH1A1HSD17B10LMNAMGAMGAA | |
| Acetic Acid Methyl Ester SCHEMBL28118680 | 0.97 | ALDH1A1 (0.67) | ALDH1A1HSD17B10LMNAMGAMGAA | |
| Acetic Acid Methyl Ester SCHEMBL2700263 | 0.94 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL28790699 | 0.90 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL1578697 | 0.90 | ALDH1A1 (0.67) | ALDH1A1HSD17B10LMNAMGAMGAA | |
| Acetic Acid Methyl Ester SCHEMBL28403470 | 0.87 | ALDH1A1 (0.83) | ALDH1A1HSD17B10LMNAMGAMGAA | |
| Benzene SCHEMBL27944069 | 0.86 | ALDH1A1 (0.53) | ALDH1A1HSD17B10LMNAMGAMGAA | |
| Acetone SCHEMBL29135357 | 0.83 | ALDH1A1 (0.46) | ALDH1A1HSD17B10LMNAMGAMGAA | |
| Acetic Acid Methyl Ester SCHEMBL27511456 | 0.83 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL7121041 | 0.83 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112844452-B | Modified molecular sieve, preparation method thereof, catalyst for preparing methyl acetate by carbonylation of dimethyl ether and method | 北京弗莱明科技有限公司 | 2023-03-14 | — | — | CN | disclosed |
| CN-114160190-B | Preparation method and application of dimethyl ether carbonylation catalyst | 西南化工研究设计院有限公司 | 2023-01-24 | — | — | CN | disclosed |
| CN-115197047-A | Coupling reaction method for preparing ethanol from dimethyl ether | 西南化工研究设计院有限公司 | 2022-10-18 | — | — | CN | disclosed |
| CN-114160190-A | Preparation method and application of dimethyl ether carbonylation catalyst | 西南化工研究设计院有限公司 | 2022-03-11 | — | — | CN | disclosed |
| CN-113045419-B | Preparation method and application of catalyst for removing pyridine from crude methyl acetate | 西南化工研究设计院有限公司 | 2022-03-08 | — | — | CN | disclosed |
| CN-112250573-B | Method for preparing methyl acetate by dimethyl ether carbonylation | 西南化工研究设计院有限公司 | 2021-08-17 | — | — | CN | disclosed |
| CN-113045419-A | Preparation method and application of catalyst for removing pyridine from crude methyl acetate | 西南化工研究设计院有限公司 | 2021-06-29 | — | — | CN | disclosed |
| CN-112844452-A | Modified molecular sieve, preparation method thereof, catalyst for preparing methyl acetate by carbonylation of dimethyl ether and method | 北京弗莱明科技有限公司 | 2021-05-28 | — | — | CN | disclosed |
| CN-112250573-A | Method for preparing methyl acetate by dimethyl ether carbonylation | 西南化工研究设计院有限公司 | 2021-01-22 | — | — | CN | disclosed |
| CN-111001431-B | Core-shell catalyst for preparing ethanol from dimethyl ether and synthesis gas by one-step method and preparation method and application thereof | 西南化工研究设计院有限公司 | 2020-12-01 | — | — | CN | disclosed |
| CN-109438239-B | Method for controllably synthesizing methyl acetate and acetic acid by dimethyl ether carbonylation | 西南化工研究设计院有限公司 | 2020-09-01 | — | — | CN | disclosed |
| CN-111001431-A | Core-shell catalyst for preparing ethanol from dimethyl ether and synthesis gas by one-step method and preparation method and application thereof | 西南化工研究设计院有限公司 | 2020-04-14 | — | — | CN | disclosed |
| CN-110698349-A | Recovery method of dimethyl ether carbonylation MOR molecular sieve catalyst template agent | 西南化工研究设计院有限公司 | 2020-01-17 | — | — | CN | disclosed |
| CN-107522618-A | Method of Dimethyl ether carbonylation and application thereof and consersion unit | 中石化炼化工程（集团）股份有限公司 | 2017-12-29 | — | — | CN | disclosed |