Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.79 |
| ▸ | MGAM | O43451 | 1/20 | 0.79 |
| ▸ | SI | P14410 | 1/20 | 0.79 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.79 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.42 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.40 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 SCHEMBL29008218 | 0.97 | GAA (0.83) | GAAMGAMSIMGAM2ALDH1A1 | |
| Malonic Acid Diethyl Ester SCHEMBL27672071 | 0.92 | GAA (0.94) | GAAMGAMSIMGAM2ALDH1A1 | |
| Malonic Acid Diethyl Ester SCHEMBL4334303 | 0.92 | GAA (0.94) | GAAMGAMSIMGAM2ALDH1A1 | |
| Malonic Acid Diethyl Ester SCHEMBL27943809 | 0.89 | GAA (0.88) | GAAMGAMSIMGAM2ALDH1A1 | |
| Malonic Acid Diethyl Ester SCHEMBL28126343 | 0.89 | GAA (0.88) | GAAMGAMSIMGAM2ALDH1A1 | |
| Malonic Acid Diethyl Ester SCHEMBL8636 | 0.89 | GAA (1.00) | GAAMGAMSIMGAM2ALDH1A1 | |
| Malonic Acid Diethyl Ester SCHEMBL1331824 | 0.89 | GAA (1.00) | GAAMGAMSIMGAM2ALDH1A1 | |
| Malonic Acid Diethyl Ester SCHEMBL1864301 | 0.89 | GAA (1.00) | GAAMGAMSIMGAM2ALDH1A1 | |
| Malonic Acid Diethyl Ester SCHEMBL1331187 | 0.89 | GAA (1.00) | GAAMGAMSIMGAM2ALDH1A1 | |
| Malonic Acid Diethyl Ester SCHEMBL1330550 | 0.89 | GAA (1.00) | 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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101851164-A | Composite method of substituted ethyl benzoylacetate containing fluorine and nitrogen | NANJING ACEAN MEDICINE CO LTD | 2010-10-06 | — | — | CN | claimed |
| CN-104610067-B | A kind of synthetic method of Rimantadine | Anhui University of Science and Technology (CN) | 2016-04-13 | — | — | CN | disclosed |
| CN-104610067-A | Synthetic method for rimantadine | UNIV ANHUI SCI & TECHNOLOGY | 2015-05-13 | — | — | CN | disclosed |
| CN-102268007-A | Preparation method for dibenzyl biotin derivative | — | 2011-12-07 | — | — | CN | disclosed |
| CN-101184996-A | Electrochemical detection method | INVERNESS MEDICAL SWITZERLAND (CH) | 2008-05-21 | — | — | CN | disclosed |
| CN-1321963-C | Process for preparing 3, 3-dimethyl -2-pentanone | LUYUAN PHARMACEUTICAL CO LTD D (CN) | 2007-06-20 | — | — | CN | disclosed |
| CN-1295232-C | Method for preparing diester dibenzyl biotin | XINCHANG PHARMACEUTICAL FACTORY ZHEJIANG MEDICINE CO LTD (CN) | 2007-01-17 | — | — | CN | disclosed |
| CN-1781894-A | Process for preparing 3, 3-dimethyl -2-pentanone | LUYUAN PHARMACEUTICAL CO LTD D (CN) | 2006-06-07 | — | — | CN | disclosed |
| CN-1616464-A | Method for preparing diester dibenzyl biotin | XINCHANG PHARMACEUTICAL FACTORY ZHEJIANG MEDICINE CO LTD (CN) | 2005-05-18 | — | — | CN | disclosed |
| CN-1048242-C | 5-amino-8-methyl-7-pyrrolidinylquinoline-3-carboxylic acid derivative | NORTHERN CONTINENTAL CO LTD (JP) | 2000-01-12 | — | — | CN | disclosed |
| CN-1028226-C | 4-Oxoquinoline-3-carboxylic acid derivatives, their preparation and their use | UBE INDUSTRIES (JP) | 1995-04-19 | — | — | CN | disclosed |
| CN-1023704-C | Process for preparing 1,4-dihydro-4-oxy-1,8-diazanaphthalene derivatives and their salts | TOYAMA CHEMICAL CO LTD (JP) | 1994-02-09 | — | — | CN | disclosed |
| CN-1023011-C | Herbicide composition containing pyrazole derivative | NISSAN CHEMICAL IND LTD (JP) | 1993-12-08 | — | — | CN | disclosed |
| CN-1019114-B | QUINOLINE-3-CARBOXYLIC ACID DERIVATIVES AND THE PREPN. METHOD THEREOF | SANKYO CO (JP) | 1992-11-18 | — | — | CN | disclosed |
| CN-1011310-B | Process for producing 1, 4-dihydro-4-oxo-1, 8-naphthyridine derivative | TOYAMA CHEMICAL CO LTD (JP) | 1991-01-23 | — | — | CN | disclosed |
| CN-1041155-A | Process for producing 1, 4-dihydro-4-oxo-1, 8-naphthyridine derivatives and salts thereof | TOYAMA CHEMICAL CO LTD (JP) | 1990-04-11 | — | — | CN | disclosed |
| CN-1040977-A | The preparation and the use of 4-Oxoquinoline-3-carboxylic acid derivative | UBE INDUSTRIES (JP) | 1990-04-04 | — | — | CN | disclosed |
| CN-88101455-A | Pyrazole derivatives and herbicides containing the same | — | 1988-09-28 | — | — | CN | disclosed |
| CN-87103693-A | Quinoline-3-carboxylic acid derivatives and its preparation and application | — | 1988-03-30 | — | — | CN | disclosed |
| CN-85103150-A | Process for producing antibacterial agent containing 1, 4-dihydro-4-oxo-1, 8-naphthyridine derivative and salt thereof | — | 1986-10-22 | — | — | CN | disclosed |