Fumaric Acid

Fumaric Acid

SCHEMBL8084342

CC1(CC2=Cc3ccccc3CC2)CNC=N1.O=C(O)/C=C/C(=O)O

nearest known ligand 0.49

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 19)

geneUniProtsupporting neighboursconfidence
MEN1 known ✓ O00255 1/20 0.33
KMT2A known ✓ Q03164 1/20 0.33
DRD2 known ✓ P14416 1/20 0.32
HTR2A known ✓ P28223 1/20 0.32
HTR2C known ✓ P28335 1/20 0.32
HRH1 known ✓ P35367 1/20 0.32
HTR2B known ✓ P41595 1/20 0.32
ADRA2A P08913 1/20 0.38
LMNA P02545 2/20 0.36
BLM P54132 1/20 0.36
CYP3A4 P08684 1/20 0.33
RECQL P46063 1/20 0.33
PMP22 Q01453 1/20 0.33
MITF O75030 1/20 0.32
HSP90AA1 P07900 1/20 0.32
RAB9A P51151 1/20 0.32
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32
DRD3 P35462 1/20 0.32

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 SCHEMBL8084349 1.00 ADRA2A (0.38) ADRA2ALMNABLMMEN1CYP3A4
SCHEMBL6959621 0.89 ADRA2A (0.45) ADRA2AHTR1ADRD2HTR2AHTR2C
Fumaric Acid SCHEMBL8091873 0.73 LMNA (0.41) LMNABLMHTR1A
Fumaric Acid SCHEMBL8091860 0.73 LMNA (0.41) LMNABLMHTR1A
SCHEMBL8084346 0.73 ADRA2A (0.34) ADRA2AHTR1ADRD2HTR2AHTR2C
Fumaric Acid SCHEMBL8092398 0.72 ADRA2A (0.46) ADRA2ALMNABLMMITFHSP90AA1
Fumaric Acid SCHEMBL8091870 0.72 ADRA2A (0.46) ADRA2ALMNABLMMITFHSP90AA1
Fumaric Acid SCHEMBL8091878 0.72 ADRA2A (0.46) ADRA2ALMNABLMMITFHSP90AA1
Fumaric Acid SCHEMBL8085007 0.72 ADRA2A (0.46) ADRA2ALMNABLMMITFHSP90AA1
Fumaric Acid SCHEMBL8092403 0.72 ADRA2A (0.46) ADRA2ALMNABLMMITFHSP90AA1

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-1183907-C Imidazoline compound, preparing process thereof and pharmaceutical composition contg. same SERVIER LAB (FR) 2005-01-12 CN disclosed
US-6127396-A Imidazoline compounds ADIR ET COMPAGNIE (FR) 2000-10-03 US disclosed