Known targets — ChEMBL curated mechanism
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 15)
| 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 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 3/20 | 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 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
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 SCHEMBL5236393 | 1.00 | CYP3A4 (0.43) | CYP3A4TSHRNFKB1NPSR1CA2 | |
| Ethylmalonate SCHEMBL30534801 | 0.94 | CYP3A4 (0.43) | CYP3A4TSHRNFKB1NPSR1CA2 | |
| Ethylmalonate SCHEMBL108809 | 0.94 | CYP3A4 (0.43) | CYP3A4TSHRNFKB1NPSR1CA2 | |
| Ethylmalonate SCHEMBL29035614 | 0.94 | CYP3A4 (0.43) | CYP3A4TSHRNFKB1NPSR1CA2 | |
| Ethylmalonate SCHEMBL108038 | 0.94 | CYP3A4 (0.48) | CYP3A4TSHRNFKB1NPSR1CA2 | |
| Ethylmalonate SCHEMBL9765249 | 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 SCHEMBL29018393 | 0.94 | CYP3A4 (0.43) | 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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0559774-B1 | INDIVIDUAL STEREOISOMERS OF 7- 3-(1-AMINOALKYL)-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS | WARNER LAMBERT CO (US) | 1999-07-07 | — | — | EP | disclosed |
| EP-0909759-A2 | Individual stereoisomers of 7-(3-aminoalkyl)-1-pyrrolidinyl)-quinolones as antibacterial agents | WARNER-LAMBERT COMPANY (US) | 1999-04-21 | — | — | EP | disclosed |
| EP-0810991-B1 | 1-ARYL-2-ACYLAMINO-ETHANE COMPOUNDS AND THEIR USE AS NEUROKININ ESPECIALLY NEUROKININ 1 ANTAGONISTS | NOVARTIS AG (CH) | 1999-04-14 | — | — | EP | disclosed |
| EP-0810991-A1 | 1-ARYL-2-ACYLAMINO-ETHANE COMPOUNDS AND THEIR USE AS NEUROKININ ESPECIALLY NEUROKININ 1 ANTAGONISTS | Novartis AG (CH) | 1997-12-10 | — | — | EP | disclosed |
| US-5633264-A | Individual stereoisomers of 7-[3-(1-aminoalkyl)-1-pyrrolidinyl]-Quinolones and naphthyridones as antibacterial agents | WARNER-LAMBERT COMPANY (US) | 1997-05-27 | — | — | US | disclosed |
| EP-0464817-B1 | 2,4-Dihydroxyadipic acid derivative | KANEGAFUCHI CHEMICAL IND (JP) | 1996-10-09 | — | — | EP | disclosed |
| US-5563155-A | QUINOLONE ANTIBIOTICS WITH INCREASED EFFICACY, REDUCED SIDE EFFECTS | WARNER-LAMBERT COMPANY (US) | 1996-10-08 | — | — | US | disclosed |
| WO-1996026183-A1 | 1-ARYL-2-ACYLAMINO-ETHANE COMPOUNDS AND THEIR USE AS NEUROKININ ESPECIALLY NEUROKININ 1 ANTAGONISTS | NOVARTIS AG (CH) | 1996-08-29 | — | — | WO | disclosed |
| US-5461165-A | Individual stereoisomers of intermediates of 7-[3-(1-aminoalkyl)-1-pyrrolidinyl]-quinolones and naphthyridones as antibacterial agents | WARNER-LAMBERT COMPANY (US) | 1995-10-24 | — | — | US | disclosed |
| US-5344940-A | Bactericides | WARNER-LAMBERT COMPANY (US) | 1994-09-06 | — | — | US | disclosed |
| EP-0559774-A1 | INDIVIDUAL STEREOISOMERS OF 7- 3-(1-AMINOALKYL)-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS | WARNER-LAMBERT COMPANY (US) | 1993-09-15 | — | — | EP | disclosed |
| US-5214197-A | 2,4-DIHYDROXYADIPIC ACID DERIVATIVE | KANEGAFUCHI CHEMICAL INDUSTRY CO., LTD. (JP) | 1993-05-25 | — | — | US | disclosed |
| US-5175356-A | Trifluorobenzoic acid intermediates | WARNER-LAMBERT COMPANY (US) | 1992-12-29 | — | — | US | disclosed |
| US-5116834-A | Quinolinecarboxylic acid antibacterial agents | WARNER-LAMBERT COMPANY (US) | 1992-05-26 | — | — | US | disclosed |
| EP-0464817-A1 | 2,4-Dihydroxyadipic acid derivative | Kanegafuchi Chemical Industry Co., Ltd. (JP) | 1992-01-08 | — | — | EP | disclosed |
| WO-1991016312-A1 | QUINOLINECARBOXYLIC ACID ANTIBACTERIAL AGENTS | WARNER-LAMBERT COMPANY (US) | 1991-10-31 | — | — | WO | disclosed |
| US-5047538-A | Quinolinecarboxylic acid antibacterial agents | WARNER-LAMBERT COMPANY (US) | 1991-09-10 | — | — | US | disclosed |
| US-4916229-A | Pyridine carboxylic acid derivates | WARNER-LAMBERT COMPANY (US) | 1990-04-10 | — | — | US | disclosed |
| US-4870199-A | FROM 3-HYDROXY-4-TRIPHENYLMETHOXYBUTANOIC ACID | SANDOZ PHARM. CORP. (US) | 1989-09-26 | — | — | US | disclosed |
| EP-0244364-A2 | Preparation of olefinic compounds | SANDOZ AG (CH) | 1987-11-04 | — | — | EP | disclosed |