Fumaric Acid

Fumaric Acid

SCHEMBL8092925

C1=NC(Cc2cc3ccccc3o2)CN1.O=C(O)/C=C/C(=O)O

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRB1ADRB2ATP4AATP4BAXLCHRM2CHRM3DRD2FLT3HRH1HTR2AHTR2BHTR2CKCNH2KMT2AMAP2K1MAP2K2MEN1MLNRPLK4RENS1PR1SLC6A2SLC6A4atpAatpBatpCatpDatpEatpFatpFHatpGpol

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 20)

geneUniProtsupporting neighboursconfidence
HTR2B known ✓ P41595 1/20 0.36
KMT2A known ✓ Q03164 2/20 0.35
MEN1 known ✓ O00255 1/20 0.35
SLC6A2 known ✓ P23975 1/20 0.35
SLC6A4 known ✓ P31645 1/20 0.35
KCNH2 known ✓ Q12809 1/20 0.35
FLT3 known ✓ P36888 1/20 0.34
ADRA2A P08913 1/20 0.46
PREP P48147 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
PIN1 Q13526 1/20 0.36
HTR1A P08908 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
CYP2D6 P10635 1/20 0.35

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 SCHEMBL8092928 1.00 ADRA2A (0.46) ADRA2APREPLOXL2PIN1HTR1A
SCHEMBL6951696 0.89 ADRA2A (0.56) ADRA2APREPLOXL2HTR1AHTR2B
Fumaric Acid SCHEMBL8091522 0.86 HRH3 (0.35) ADRA2AHTR1AHTR2BKDM4EMAPT
Fumaric Acid SCHEMBL8091527 0.86 HRH3 (0.35) ADRA2AHTR1AHTR2BKDM4EMAPT
Fumaric Acid SCHEMBL8084695 0.78 TBXA2R (0.43) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
Fumaric Acid SCHEMBL8084690 0.78 TBXA2R (0.43) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL6951243 0.73 ADRA2A (0.38) ADRA2AHTR1AHTR2BCA12CA1
Fumaric Acid SCHEMBL8093570 0.70 ADRA2A (0.49) ADRA2AALDH1A1CYP2D6
Fumaric Acid SCHEMBL8093564 0.70 ADRA2A (0.49) ADRA2AALDH1A1CYP2D6
SCHEMBL4828390 0.69 LOXL2 (0.49) LOXL2PIN1HTR1AHTR2BESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1183907-C Imidazoline compound, preparing process thereof and pharmaceutical composition contg. same SERVIER LAB (FR) 2005-01-12 CN disclosed
US-6127396-A Imidazoline compounds ADIR ET COMPAGNIE (FR) 2000-10-03 US disclosed