Fumaric Acid

Fumaric Acid

SCHEMBL30909262

CCCCCCN1CCC(c2c[nH]c3ccc(NC(=S)N(OC(C)CC)c4ccccc4)nc23)CC1.O=C(O)/C=C/C(=O)O

nearest known ligand 0.52

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 9)

geneUniProtsupporting neighboursconfidence
HTR2A known ✓ P28223 1/20 0.46
HTR2C known ✓ P28335 1/20 0.46
HTR1F P30939 20/20 0.52
HTR1D P28221 10/20 0.51
HTR1B P28222 10/20 0.51
HTR1A P08908 9/20 0.46
HTR1E P28566 1/20 0.46
HTR6 P50406 1/20 0.46
HTR4 Q13639 1/20 0.46

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 SCHEMBL7011859 1.00 HTR1F (0.52) HTR1FHTR1DHTR1BHTR1AHTR2A
Fumaric Acid SCHEMBL7480212 0.87 HTR1D (0.49) HTR1DHTR1B
Fumaric Acid SCHEMBL30909090 0.87 HTR1D (0.49) HTR1DHTR1B
Fumaric Acid SCHEMBL7011854 0.84 HTR1F (0.52) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7015069 0.76 HTR1F (0.57) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7013501 0.76 HTR1F (0.65) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7013905 0.75 HTR1F (0.70) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL8457509 0.74 HTR1F (0.62) HTR1FHTR1DHTR1BHTR1AHTR2A
Malonic Acid SCHEMBL7006538 0.74 HTR1F (0.58) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL8458326 0.73 HTR1F (0.68) HTR1FHTR1DHTR1BHTR1AHTR2A

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
WO-2024073845-A1 METHODS AND PHARMACOLOGICAL AGENTS FOR INCREASING EXPANSION, ENGRAFTMENT OR IMMUNE OUTPUT OF HUMAN HEMATOPOIETIC STEM CELLS IN TRANSPLANTATION AND DISEASE SETTINGS VALORISATION HSJ, LIMITED PARTNERSHIP (CA) 2024-04-11 WO disclosed