Fumaric Acid

Fumaric Acid

SCHEMBL8091353

C1=N[C@@H](C2=Cc3ccccc3CC2)CN1.O=C(O)/C=C/C(=O)O

nearest known ligand 0.42

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 0.31
KMT2A known ✓ Q03164 1/20 0.31
KDM1A O60341 1/20 0.42
MITF O75030 1/20 0.34
HSP90AA1 P07900 1/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 2/20 0.34
BLM P54132 1/20 0.34
ADRA2A P08913 2/20 0.33
NPSR1 Q6W5P4 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
NISCH Q9Y2I1 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
CYP3A4 P08684 1/20 0.31
RECQL P46063 1/20 0.31
PMP22 Q01453 1/20 0.31

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 SCHEMBL8091361 1.00 KDM1A (0.42) KDM1AMITFHSP90AA1RAB9ALMNA
Fumaric Acid SCHEMBL27554094 1.00 KDM1A (0.42) KDM1AMITFHSP90AA1RAB9ALMNA
SCHEMBL6951259 0.88 KDM1A (0.51) KDM1AADRA2ACYP19A1CYP11B1CYP11B2
Fumaric Acid SCHEMBL8091878 0.78 ADRA2A (0.46) MITFHSP90AA1RAB9ALMNABLM
Fumaric Acid SCHEMBL8091870 0.78 ADRA2A (0.46) MITFHSP90AA1RAB9ALMNABLM
Fumaric Acid SCHEMBL8092398 0.78 ADRA2A (0.46) MITFHSP90AA1RAB9ALMNABLM
Fumaric Acid SCHEMBL8085005 0.78 ADRA2A (0.46) MITFHSP90AA1RAB9ALMNABLM
Fumaric Acid SCHEMBL8085007 0.78 ADRA2A (0.46) MITFHSP90AA1RAB9ALMNABLM
Fumaric Acid SCHEMBL8092403 0.78 ADRA2A (0.46) MITFHSP90AA1RAB9ALMNABLM
Fumaric Acid SCHEMBL8097779 0.71 ACHE (0.39) LMNABLMADRA2ANPSR1TAAR1

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-6127396-A Imidazoline compounds ADIR ET COMPAGNIE (FR) 2000-10-03 US disclosed