Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Ethyl Fumarate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.43 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.43 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.43 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.41 |
| ▸ | HCAR2 | Q8TDS4 | 4/20 | 0.61 |
| ▸ | MAPT | P10636 | 6/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | TTR | P02766 | 1/20 | 0.40 |
| ▸ | DPP4 | P27487 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| Ethyl Fumarate SCHEMBL9435698 | 1.00 | HCAR2 (0.61) | HCAR2MAPTATMNPSR1CA12 | |
| Ethyl Fumarate SCHEMBL11470776 | 0.95 | HCAR2 (0.61) | HCAR2MAPTATMNPSR1CA12 | |
| Ethyl Fumarate SCHEMBL20594713 | 0.95 | HCAR2 (0.61) | HCAR2MAPTATMNPSR1CA12 | |
| Ethyl Fumarate SCHEMBL5016627 | 0.95 | HCAR2 (0.61) | HCAR2MAPTATMNPSR1CA12 | |
| Ethyl Fumarate SCHEMBL6440837 | 0.95 | HCAR2 (0.61) | HCAR2MAPTATMNPSR1CA12 | |
| Ethyl Fumarate SCHEMBL1904369 | 0.95 | HCAR2 (0.61) | HCAR2MAPTATMNPSR1CA12 | |
| Ethyl Fumarate SCHEMBL1904374 | 0.95 | HCAR2 (0.61) | HCAR2MAPTATMNPSR1CA12 | |
| Ethyl Fumarate SCHEMBL1903287 | 0.95 | HCAR2 (0.61) | HCAR2MAPTATMNPSR1CA12 | |
| Ethyl Fumarate SCHEMBL1905731 | 0.95 | HCAR2 (0.61) | HCAR2MAPTATMNPSR1CA12 | |
| Ethyl Fumarate SCHEMBL1902730 | 0.95 | HCAR2 (0.61) | HCAR2MAPTATMNPSR1CA12 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5376145-A | Using esters, salts amd amides of maleic or fumaric acid in aqueous solution; preventing loss of bulk | COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) | 1994-12-27 | — | — | US | claimed |
| US-5376145-A | Using esters, salts amd amides of maleic or fumaric acid in aqueous solution; preventing loss of bulk | COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) | 1994-12-27 | — | — | US | disclosed |
| EP-0393037-B1 | TREATMENTS TO IMPROVE THE PROPERTIES OF KERATINOUS TEXTILES | COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) | 1993-06-09 | — | — | EP | disclosed |
| EP-0393037-A4 | TREATMENTS TO IMPROVE THE PROPERTIES OF KERATINOUS TEXTILES | — | 1991-03-13 | — | — | EP | disclosed |
| EP-0393037-A1 | TREATMENTS TO IMPROVE THE PROPERTIES OF KERATINOUS TEXTILES. | COMMW SCIENT IND RES ORG (AU) | 1990-10-24 | — | — | EP | disclosed |
| WO-1989001541-A1 | TREATMENTS TO IMPROVE THE PROPERTIES OF KERATINOUS TEXTILES | COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH OR (AU) | 1989-02-23 | — | — | WO | disclosed |
| US-4306079-A | Novel ester derivatives of polycarboxylic acids and process for making same | LEVER BROTHERS COMPANY (US) | 1981-12-15 | — | — | US | disclosed |
| US-4299773-A | Ester derivatives of polycarboxylic acids and process for making same | LEVER BROTHERS COMPANY (US) | 1981-11-10 | — | — | US | disclosed |
| US-4275007-A | β-Lactone esters | LEVER BROTHERS COMPANY (US) | 1981-06-23 | — | — | US | disclosed |
| US-4273935-A | Salts of propene 1,1,2,3-tetracarboxylic acid | LEVER BROTHERS COMPANY (US) | 1981-06-16 | — | — | US | disclosed |
| US-4218381-A | Novel ester derivatives of polycarboxylic acids and process for making same | LEVER BROTHERS COMPANY (US) | 1980-08-19 | — | — | US | disclosed |
| US-4209636-A | Preparation of ester derivatives of polycarboxylic acids | LEVER BROTHERS COMPANY (US) | 1980-06-24 | — | — | US | disclosed |
| US-4159388-A | Ester derivatives of 1-halo-1,1,2,3-propane tetracarboxylic acid | LEVER BROTHERS COMPANY (US) | 1979-06-26 | — | — | US | disclosed |
| US-4123458-A | HALOGENATION, DEHYDROGENATION, DECARBOXYLATION | LEVER BROTHERS COMPANY (US) | 1978-10-31 | — | — | US | disclosed |