Fumaric Acid

Fumaric Acid

SCHEMBL5611705

O=C([O-])C=CC(=O)[O-].O=C([O-])C=CC(=O)[O-].O=C([O-])C=CC(=O)[O-].O=C([O-])C=CC(=O)[O-].[C+4].[C+4]

nearest known ligand 0.91

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ATP4AATP4BAXLBTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CHRM2CHRM3CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4FLT3HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3KCNH2KMT2AMAP2K1MAP2K2MEN1MLNRMPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PLK4PPARGRENS1PR1SLC6A2SLC6A3SLC6A4SMOTYK2atpAatpBatpCatpDatpEatpFatpFHatpGpol

The experimentally established mechanism targets of Fumaric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.43
CA9 Q16790 1/20 0.43
BBOX1 O75936 1/20 0.41
CA4 P22748 3/20 0.36
FAHD1 Q6P587 1/20 0.36
TSHR P16473 3/20 0.33
TP53 P04637 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
EGLN3 Q9H6Z9 1/20 0.33
ALOX15 P16050 1/20 0.30
APEX1 P27695 1/20 0.30

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.

Compoundsimilaritytop predictedshared targets
Fumaric Acid SCHEMBL20657014 1.00 CA1 (0.43) CA1CA9BBOX1CA4FAHD1
Fumaric Acid SCHEMBL20610493 1.00 CA1 (0.43) CA1CA9BBOX1CA4FAHD1
Fumaric Acid SCHEMBL4964900 1.00 CA1 (0.43) CA1CA9BBOX1CA4FAHD1
Fumaric Acid SCHEMBL5073825 1.00 CA1 (0.43) CA1CA9BBOX1CA4FAHD1
Fumaric Acid SCHEMBL6553020 0.95 CA1 (0.45) CA1CA9BBOX1CA4FAHD1
Fumaric Acid SCHEMBL21815723 0.95 CA1 (0.45) CA1CA9BBOX1CA4FAHD1
Fumaric Acid SCHEMBL6553031 0.95 CA1 (0.45) CA1CA9BBOX1CA4FAHD1
Fumaric Acid SCHEMBL23828619 0.91
Fumaric Acid SCHEMBL21815644 0.91 CA1 (0.43) CA1CA9BBOX1CA4FAHD1
Fumaric Acid SCHEMBL15646089 0.91 CA1 (0.43) CA1CA9BBOX1CA4FAHD1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9816214-B2 Electrospun fiber mats from polymers having a low Tm, Tg, or molecular weight STC.UNM (US) 2017-11-14 US disclosed
US-20140319740-A1 Electrospun Fiber Mats from Polymers Having a Low Tm, Tg, or Molecular Weight STC.UNM (US) 2014-10-30 US disclosed
US-8809212-B1 Electrospun fiber mats from polymers having a low Tm, Tg, or molecular weight STC.UNM (US) 2014-08-19 US disclosed
EP-1646670-B1 SELF-CROSSLINKABLE POLY(CAPROLACTONE FUMARATE) MAYO FOUNDATION (US) 2014-02-26 EP disclosed
EP-1809678-B1 PHOTOCROSSLINKABLE POLY(CAPROLACTONE FUMARATE) MAYO FOUNDATION (US) 2013-05-22 EP disclosed
US-20070043202-A1 Self-crosslinkable poly(caprolactone fumarate) NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-02-22 US disclosed
US-6753358-B2 POLYMER NETWORK COMPRISING POLY(PROPYLENE FUMARATE) CROSSLINKED WITH A FUMARATE DERIVATIVE SUCH AS DIETHYL FUMARATE; BIODEGRADABLE; USEFUL FOR IN VIVO APPLICATIONS; INJECTABLE; FOR RECONSTRUCTING BONE WILLIAM MARSH RICE UNIVERSITY 2004-06-22 US disclosed
US-20030032733-A1 Photocrosslinking of diethyl fumarate/poly (propylene fumarate) biomaterials WM. MARSH RICE UNIVERSITY (US) 2003-02-13 US disclosed