Fumaric Acid

Fumaric Acid

SCHEMBL9762668

CN1CCC(c2nc3cccnc3n2CC2CCCO2)CC1.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O

nearest known ligand 0.51

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
KCNH2 known ✓ Q12809 1/20 0.51
MEN1 known ✓ O00255 3/20 0.40
KMT2A known ✓ Q03164 3/20 0.40
HSD17B10 Q99714 6/20 0.42
ALDH1A1 P00352 6/20 0.42
CYP1A2 P05177 3/20 0.42
GLA P06280 3/20 0.42
MAPK10 P53779 1/20 0.42
MAPK14 Q16539 1/20 0.42
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 4/20 0.41
KDM4E B2RXH2 3/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 3/20 0.40
CASP1 P29466 3/20 0.40
CASP7 P55210 3/20 0.40
USP2 O75604 3/20 0.40
GAA P10253 2/20 0.40
ALOX15 P16050 1/20 0.40

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 SCHEMBL9762673 1.00 KCNH2 (0.51) KCNH2HSD17B10ALDH1A1CYP1A2GLA
Fumaric Acid SCHEMBL9761877 0.79 TP53 (0.50) KCNH2MAPTLMNATHRBPOLB
Fumaric Acid SCHEMBL9761875 0.79 TP53 (0.50) KCNH2MAPTLMNATHRBPOLB
SCHEMBL9761903 0.73 PDE4A (0.50) KCNH2ALDH1A1HPGDGAALMNA
Fumaric Acid SCHEMBL9762713 0.73 KCNH2 (0.62) KCNH2MAPT
Fumaric Acid SCHEMBL9762718 0.73 KCNH2 (0.62) KCNH2MAPT
Fumaric Acid SCHEMBL8549995 0.69 MCL1 (0.41) ALDH1A1KDM4EMAPTUSP2L3MBTL1
Fumaric Acid SCHEMBL8549993 0.69 MCL1 (0.41) ALDH1A1KDM4EMAPTUSP2L3MBTL1
Fumaric Acid SCHEMBL9761131 0.67 LMNA (0.50) HSD17B10ALDH1A1TSHRKDM4EHPGD
Fumaric Acid SCHEMBL9761122 0.67 LMNA (0.50) HSD17B10ALDH1A1TSHRKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5071855-A Antihistamines, antiallergens DOMPE FARMACEUTICI SPA (IT) 1991-12-10 US disclosed