Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.42 |
| ▸ | CYP4A11 | Q02928 | 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 | 2/20 | 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 SCHEMBL1864301 | 0.94 | GAA (1.00) | GAAMGAMSIMGAM2ALDH1A1 | |
| Malonic Acid Diethyl Ester SCHEMBL1330550 | 0.94 | GAA (1.00) | GAAMGAMSIMGAM2ALDH1A1 | |
| Malonic Acid Diethyl Ester SCHEMBL1331824 | 0.94 | GAA (1.00) | GAAMGAMSIMGAM2ALDH1A1 | |
| Malonic Acid Diethyl Ester SCHEMBL1245157 | 0.92 | GAA (0.83) | GAAMGAMSIMGAM2ALDH1A1 | |
| Malonic Acid Diethyl Ester SCHEMBL8417856 | 0.91 | GAA (0.94) | GAAMGAMSIMGAM2ALDH1A1 | |
| Malonic Acid Diethyl Ester SCHEMBL10896529 | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109738413-A | Mixture Raman spectra qualitative analysis method based on sparse non-negative least square | 江南大学 | 2019-05-10 | — | — | CN | disclosed |
| US-20100113799-A1 | Process for the Preparation of (R) - 5 - (2-Aminoethyl) -1- (6, 8-Difluorochroman-3-YL) -1,3-Dihydroimidazole-2-Thione | BIAL - PORTELA & CA S.A. (PT) | 2010-05-06 | — | — | US | disclosed |
| EP-2114926-A1 | PROCESS FOR THE PREPARATION OF (R) -5- (2-AMINOETHYL) -1- (6, 8-DIFLUOROCHROMAN-3-YL) -1, 3-DIHYDROIMIDAZOLE-2-THIONE | BIAL - Portela & Ca., S.A. (PT) | 2009-11-11 | — | — | EP | disclosed |
| WO-2008094055-A1 | PROCESS FOR THE PREPARATION OF (R) -5- (2-AMINOETHYL) -1- (6, 8-DIFLUOROCHROMAN-3-YL) -1, 3-DIHYDROIMIDAZOLE-2-THIONE | BIAL-PORTELA & CA, S.A. (PT) | 2008-08-07 | — | — | WO | 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-1117491-A | 5-amino-8-methyl-7-pyrrolidinylquinoline-3-carboxylic acid derivative | NORTHERN CONTINENTAL CO LTD (JP) | 1996-02-28 | — | — | CN | disclosed |
| CN-1108955-A | The use of compositions for combating tumour diseases | CIBA GEIGY AG (CH) | 1995-09-27 | — | — | CN | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100113799-A1 | Process for the Preparation of (R) - 5 - (2-Aminoethyl) -1- (6, 8-Difluorochroman-3-YL) -1,3-Dihydroimidazole-2-Thione | DHPS, TPMT, DHFR | GAA 1807/4885MGAM 2876/4885SI 1499/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.