Fumaric Acid

Fumaric Acid

SCHEMBL28754841

CN1C2CCC1CN(c1ccc(F)cc1)CC2.O=C(O)/C=C/C(=O)O

nearest known ligand 0.53

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
MEN1 known ✓ O00255 1/20 0.48
KMT2A known ✓ Q03164 1/20 0.48
DRD2 known ✓ P14416 2/20 0.47
HTR2A known ✓ P28223 1/20 0.47
HTR2C known ✓ P28335 1/20 0.47
HRH1 known ✓ P35367 1/20 0.47
NOTUM Q6P988 1/20 0.53
ALDH1A1 P00352 3/20 0.51
LMNA P02545 2/20 0.51
GAA P10253 2/20 0.51
MAPT P10636 2/20 0.48
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
DRD4 P21917 2/20 0.47
HTR1A P08908 1/20 0.47
DRD3 P35462 1/20 0.47
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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 SCHEMBL28752216 0.88 NOTUM (0.50) NOTUMMAPTPOLBL3MBTL1DRD2
SCHEMBL3050068 0.88 NOTUM (0.50) NOTUMDRD2DRD4HTR1AHTR2A
Fumaric Acid SCHEMBL28752217 0.85 BPTF (0.46) NOTUMRAB9A
Fumaric Acid SCHEMBL27601356 0.81 HTR3A (0.44) NOTUMALDH1A1KDM4E
Fumaric Acid SCHEMBL27491916 0.79 GPR119 (0.45)
SCHEMBL27483062 0.77 KMT2A (0.52) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL3055453 0.76 MBTD1 (0.51) NOTUMMAPTMEN1POLBKMT2A
Fumaric Acid SCHEMBL27601359 0.76 CHRNA7 (0.46) HTR1AHTR2AHRH1DRD3
Fumaric Acid SCHEMBL27491915 0.75 GPR119 (0.43) KDM4E
SCHEMBL5832560 0.74 MEN1 (0.56) ALDH1A1GAAMAPTMEN1KMT2A

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-100398103-C Treatment of affective disorders by the combined action of a nicotinic receptor agonist and a monoaminergic substance NEUROSEARCH AS (DK) 2008-07-02 CN disclosed
CN-1635877-A Treatment of affective disorders by the combined action of a nicotinic receptor agonist and a monoaminergic substance NEUROSEARCH AS (DK) 2005-07-06 CN disclosed