Fumaric Acid

Fumaric Acid

SCHEMBL9761122

CN1CCN(c2nc3cccnc3n2Cc2ccccc2)CC1.O=C(O)/C=C/C(=O)O

nearest known ligand 0.58

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 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
TP53 P04637 2/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ENPP2 Q13822 6/20 0.48
BRD4 O60885 2/20 0.47
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47

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 SCHEMBL9761131 1.00 LMNA (0.50) LMNAPOLBTP53KDM4EALDH1A1
SCHEMBL9761998 0.91 KDM4E (0.53) LMNATP53KDM4EALDH1A1TSHR
SCHEMBL9762192 0.87 KDM4E (0.49) KDM4EALDH1A1HPGDTSHRHTT
Hydrochloric Acid SCHEMBL9761957 0.86 KDM4E (0.48) KDM4EALDH1A1HPGDTSHRHTT
SCHEMBL9761943 0.81 CYP2D6 (0.54) LMNATP53ALDH1A1TSHRHSD17B10
SCHEMBL12354273 0.76 HTR3E (0.56) LMNAPOLBKDM4EALDH1A1HPGD
Fumaric Acid SCHEMBL9761875 0.75 TP53 (0.50) LMNAPOLBTP53ENPP2
Fumaric Acid SCHEMBL9761877 0.75 TP53 (0.50) LMNAPOLBTP53ENPP2
Fumaric Acid SCHEMBL9635941 0.75 CHRM5 (0.53) LMNATP53KDM4EALDH1A1HPGD
SCHEMBL10967129 0.75 HTR3A (0.71)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5023256-A Antihistamines DOMPE FARMACEUTICI S.P.A. (IT) 1991-06-11 US claimed
JP-3068574-A None JP disclosed
US-5023256-A Antihistamines DOMPE FARMACEUTICI S.P.A. (IT) 1991-06-11 US disclosed
JP-H0368574-A PHARMACEUTICALLY ACTIVE AMINOIMIDAZOPYRIDINE DOMPE FARMACEUT SPA 1991-03-25 JP disclosed