Known targets — ChEMBL curated mechanism
AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA
The experimentally established mechanism targets of Ethylmalonate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA4 | P22748 | 2/20 | 0.37 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Ethylmalonate SCHEMBL106344 | 0.97 | CYP3A4 (0.42) | CYP3A4TSHRNFKB1NPSR1CA2 | |
| Ethylmalonate SCHEMBL21269202 | 0.97 | CYP3A4 (0.46) | CYP3A4TSHRNFKB1NPSR1CA2 | |
| Ethylmalonate SCHEMBL21269251 | 0.97 | CYP3A4 (0.42) | CYP3A4TSHRNFKB1NPSR1CA2 | |
| Ethylmalonate SCHEMBL8330729 | 0.94 | CYP3A4 (0.43) | CYP3A4TSHRNFKB1NPSR1CA2 | |
| Ethylmalonate SCHEMBL9118939 | 0.94 | CYP3A4 (0.43) | CYP3A4TSHRNFKB1NPSR1CA2 | |
| Ethylmalonate SCHEMBL21269702 | 0.94 | CYP3A4 (0.43) | CYP3A4TSHRNFKB1NPSR1CA2 | |
| Ethylmalonate SCHEMBL21269525 | 0.94 | CYP3A4 (0.43) | CYP3A4TSHRNFKB1NPSR1CA2 | |
| Ethylmalonate SCHEMBL5236393 | 0.94 | CYP3A4 (0.43) | CYP3A4TSHRNFKB1NPSR1CA2 | |
| Ethylmalonate SCHEMBL9765249 | 0.94 | CYP3A4 (0.43) | CYP3A4TSHRNFKB1NPSR1CA2 | |
| Ethylmalonate SCHEMBL108038 | 0.94 | CYP3A4 (0.48) | CYP3A4TSHRNFKB1NPSR1CA2 |
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 315 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118320360-A | Easily-decomposed high-performance fire extinguishing coolant for aerosol fire extinguishing agent | 湖北及安盾消防科技有限公司 | 2024-07-12 | — | — | CN | claimed |
| CN-115938640-A | Acetic acid resistant solar cell silver paste and preparation method thereof | 江西佳银科技有限公司 | 2023-04-07 | — | — | CN | claimed |
| CN-112358396-A | Preparation process of ethyl isobutyrylacetate | 门希国 | 2021-02-12 | — | — | CN | claimed |
| US-20190256683-A1 | METAL SALTS OF MALONIC ACID AS NUCLEATING ADDITIVES FOR CRYSTALLINE THERMOPLASTICS | INDIAN OIL CORPORATION LIMITED (IN) | 2019-08-22 | — | — | US | claimed |
| EP-3527616-A1 | METAL SALTS OF MALONIC ACID AS NUCLEATING ADDITIVES FOR CRYSTALLINE THERMOPLASTICS | INDIAN OIL CORPORATION Ltd. (IN) | 2019-08-21 | — | — | EP | claimed |
| EP-2190804-B1 | PROCESS AND INTERMEDIATES FOR PREPARING INTEGRASE INHIBITORS | GILEAD SCIENCES INC (US) | 2015-11-18 | — | — | EP | claimed |
| EP-1878493-B1 | Method of making a polyisocyanurate/polyurethane foam using carbocation compounds as trimerization catalysts | AIR PROD & CHEM (US) | 2013-08-21 | — | — | EP | claimed |
| US-8324244-B2 | Process and intermediates for preparing integrase inhibitors | GILEAD SCIENCES, INC. (US) | 2012-12-04 | — | — | US | claimed |
| US-8153801-B2 | Process and intermediates for preparing integrase inhibitors | GILEAD SCIENCES, INC. (US) | 2012-04-10 | — | — | US | claimed |
| US-20110160458-A1 | PROCESS AND INTERMEDIATES FOR PREPARING INTEGRASE INHIBITORS | GILEAD SCIENCES, INC. (US) | 2011-06-30 | — | — | US | claimed |
| WO-2009036161-A1 | PROCESS AND INTERMEDIATES FOR PREPARING INTEGRASE INHIBITORS | GILEAD SCIENCES, INC. (US) | 2009-03-19 | — | — | WO | claimed |
| US-20080161560-A1 | Process for Preparation of Calcium Salt of Rosuvastatin | DESHPANDE PANDURANG BALWANT | 2008-07-03 | — | — | US | claimed |
| WO-2008033836-A2 | PROCESS AND INTERMEDIATES FOR PREPARING INTEGRASE INHIBITORS | GILEAD SCIENCES, INC. (US) | 2008-03-20 | — | — | WO | claimed |
| EP-1869005-A1 | PROCESS FOR PREPARATION OF CALCIUM SALT OF ROSUVASTATIN | UNICHEM LABORATORIES LIMITED (IN) | 2007-12-26 | — | — | EP | claimed |
| WO-2006106526-A1 | PROCESS FOR PREPARATION OF CALCIUM SALT OF ROSUVASTATIN | UNICHEM LABORATORIES LIMITED (IN) | 2006-10-12 | — | — | WO | claimed |
| CN-1092191-C | Manufacture of cyclocarbonates | HOFFMANN LA ROCHE (CH) | 2002-10-09 | — | — | CN | claimed |
| EP-0950653-B1 | Process for the preparation of potassium monoethylmalonate | DEGUSSA (DE) | 2001-11-21 | — | — | EP | claimed |
| EP-0950653-A1 | Process for the preparation of potassium monoethylmalonate | CREANOVA Spezialchemie GmbH (DE) | 1999-10-20 | — | — | EP | claimed |
| CN-1180703-A | Manufacture of cyclocarbonates | HOFFMANN LA ROCHE (CH) | 1998-05-06 | — | — | CN | claimed |
| EP-0652213-B1 | Method for producing alkyl 3-phthalidylideneacetate | SUMIKA FINE CHEMICALS CO LTD (JP) | 1997-08-27 | — | — | EP | claimed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 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-20190256683-A1 | METAL SALTS OF MALONIC ACID AS NUCLEATING ADDITIVES FOR CRYSTALLINE THERMOPLASTICS | NUMA1, MNS1, ME1 | CYP3A4 3906/4885TSHR 4737/4885NFKB1 275/4885 |
| US-20080161560-A1 | Process for Preparation of Calcium Salt of Rosuvastatin | CACNA1C, CACNA1E, CACNA1S | CYP3A4 583/4885TSHR 4414/4885NFKB1 1081/4885 |
| US-20110160458-A1 | PROCESS AND INTERMEDIATES FOR PREPARING INTEGRASE INHIBITORS | TYMS, TYMP, POLB | CYP3A4 14/4885TSHR 4554/4885NFKB1 1398/4885 |
“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.