Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Malonic Acid Diethyl Ester. 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 | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.88 |
| ▸ | MGAM | O43451 | 1/20 | 0.88 |
| ▸ | SI | P14410 | 1/20 | 0.88 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.88 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.46 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.46 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.43 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Malonic Acid Diethyl Ester SCHEMBL1331187 | 0.94 | GAA (1.00) | GAAMGAMSIMGAM2ALDH1A1 | |
| Malonic Acid Diethyl Ester SCHEMBL8636 | 0.94 | GAA (1.00) | GAAMGAMSIMGAM2ALDH1A1 | |
| Malonic Acid Diethyl Ester SCHEMBL1330550 | 0.94 | GAA (1.00) | GAAMGAMSIMGAM2ALDH1A1 | |
| Malonic Acid Diethyl Ester SCHEMBL1864301 | 0.94 | GAA (1.00) | GAAMGAMSIMGAM2ALDH1A1 | |
| Malonic Acid Diethyl Ester SCHEMBL1331824 | 0.94 | GAA (1.00) | GAAMGAMSIMGAM2ALDH1A1 | |
| Malonic Acid Diethyl Ester SCHEMBL29008218 | 0.92 | GAA (0.83) | GAAMGAMSIMGAM2ALDH1A1 | |
| Malonic Acid Diethyl Ester SCHEMBL8417856 | 0.91 | GAA (0.94) | GAAMGAMSIMGAM2ALDH1A1 | |
| Malonic Acid Diethyl Ester SCHEMBL17433571 | 0.91 | GAA (0.94) | GAAMGAMSIMGAM2ALDH1A1 | |
| Malonic Acid Diethyl Ester SCHEMBL4334303 | 0.91 | GAA (0.94) | GAAMGAMSIMGAM2ALDH1A1 | |
| Malonic Acid Diethyl Ester SCHEMBL11027431 | 0.91 | GAA (0.94) | GAAMGAMSIMGAM2ALDH1A1 |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111587912-A | Vacuum freeze drying technology applied to food processing | 余姚市鸿基食品有限公司 | 2020-08-28 | — | — | CN | disclosed |
| CN-104661633-B | Cosmetic composition | 德之馨股份公司 | 2019-04-23 | — | — | CN | disclosed |
| CN-109475120-A | Antimicrobial compositions | 西姆莱斯股份公司 | 2019-03-15 | — | — | CN | disclosed |
| CN-109384650-A | 1, 2-alkanediol and process for producing the same | 西姆莱斯股份公司 | 2019-02-26 | — | — | CN | disclosed |
| CN-109152711-A | Method for producing perfume capsules with improved surfactant stability | 西姆莱斯股份公司 | 2019-01-04 | — | — | CN | disclosed |
| CN-109069378-A | spice mixture containing ester and ketone | 西姆莱斯股份公司 | 2018-12-21 | — | — | CN | disclosed |
| CN-105377921-B | Super absorbent polymer with quick absorbent properties and its production method | 赢创德固赛有限公司 | 2018-09-28 | — | — | CN | disclosed |
| CN-104974360-B | Super-absorbent polymer and preparation method thereof with improved smell control ability | 赢创德固赛有限公司 | 2018-08-28 | — | — | CN | disclosed |
| CN-107922882-A | Perfume mixture | 西姆莱斯股份公司 | 2018-04-17 | — | — | CN | disclosed |
| CN-107847413-A | Cosmetic composition containing ginger-root extract | 西姆莱斯股份公司 | 2018-03-27 | — | — | CN | disclosed |
| CN-107847412-A | The cosmetic composition squeezed the juice containing purple black-eyed Susan | 西姆莱斯股份公司 | 2018-03-27 | — | — | CN | disclosed |
| CN-107847411-A | Cosmetic composition containing Clary sage lactone | 西姆莱斯股份公司 | 2018-03-27 | — | — | CN | disclosed |
| CN-107787218-A | liquid cooling composition | 西姆莱斯股份公司 | 2018-03-09 | — | — | CN | disclosed |
| CN-107595654-A | Toiletry preparation containing hydro carbons | 考格尼斯知识产权管理有限责任公司 | 2018-01-19 | — | — | CN | disclosed |
| CN-105188660-B | Cosmetic composition | 西姆莱斯股份公司 | 2018-01-05 | — | — | CN | disclosed |
| CN-107530269-A | Stable dispersion | 西姆莱斯股份公司 | 2018-01-02 | — | — | CN | disclosed |
| CN-107148264-A | Nannochloropsis sp extract and application thereof | 库泰克有限责任公司 | 2017-09-08 | — | — | CN | disclosed |
| CN-106659674-A | Extracts of microalgae and plants for regulating sebum production | 库泰克有限责任公司 | 2017-05-10 | — | — | CN | disclosed |
| CN-103857714-B | Super absorbent polymer having fast absorption property and method for preparing the same | 赢创德固赛有限公司 | 2017-02-15 | — | — | CN | disclosed |