Fumaric Acid

Fumaric Acid

SCHEMBL9761875

CN1CCC(c2nc3cccnc3n2Cc2ccc(F)cc2)CC1.O=C(O)/C=C/C(=O)O

nearest known ligand 0.50

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 11)

geneUniProtsupporting neighboursconfidence
HRH1 known ✓ P35367 5/20 0.48
KCNH2 known ✓ Q12809 3/20 0.48
TP53 P04637 5/20 0.50
POLB P06746 2/20 0.50
LMNA P02545 2/20 0.49
THRB P10828 1/20 0.49
CYP2D6 P10635 5/20 0.48
CHRM1 P11229 2/20 0.48
RXFP1 Q9HBX9 2/20 0.48
MAPT P10636 1/20 0.48
ENPP2 Q13822 6/20 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 SCHEMBL9761877 1.00 TP53 (0.50) TP53POLBLMNATHRBCYP2D6
SCHEMBL9761903 0.84 PDE4A (0.50) TP53LMNACYP2D6HRH1KCNH2
Fumaric Acid SCHEMBL9762673 0.79 KCNH2 (0.51) POLBLMNATHRBKCNH2MAPT
Fumaric Acid SCHEMBL9762668 0.79 KCNH2 (0.51) POLBLMNATHRBKCNH2MAPT
Fumaric Acid SCHEMBL9761131 0.75 LMNA (0.50) TP53POLBLMNAENPP2
Fumaric Acid SCHEMBL9761122 0.75 LMNA (0.50) TP53POLBLMNAENPP2
SCHEMBL11480609 0.75 SSTR5 (0.57) TP53POLBLMNATHRBCYP2D6
SCHEMBL9761943 0.73 CYP2D6 (0.54) TP53LMNACYP2D6HRH1KCNH2
Fumaric Acid SCHEMBL10550969 0.72 TP53 (0.50) TP53POLBLMNATHRBMAPT
Fumaric Acid SCHEMBL10551798 0.71 SLC6A9 (0.48) TP53POLBLMNATHRBMAPT

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
US-5071855-A Antihistamines, antiallergens DOMPE FARMACEUTICI SPA (IT) 1991-12-10 US disclosed
EP-0397614-A2 Pharmacologically active piperdinylimidazopyridines DOMPE' FARMACEUTICI S.p.A. (IT) 1990-11-14 EP disclosed