Fumaric Acid

Fumaric Acid

SCHEMBL8147697

O=C(O)C=CC(=O)O.c1ccc(C2CNCCc3ccccc32)cc1

nearest known ligand 0.76

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ATP4AATP4BAXLBTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CHRM2CHRM3CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4FLT3HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3KCNH2KMT2AMAP2K1MAP2K2MEN1MLNRMPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PLK4PPARGRENS1PR1SLC6A2SLC6A3SLC6A4SMOTYK2atpAatpBatpCatpDatpEatpFatpFHatpGpol

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
DRD1 known ✓ P21728 14/20 0.59
DRD2 known ✓ P14416 9/20 0.59
ADRA2C known ✓ P18825 1/20 0.57
MEN1 known ✓ O00255 1/20 0.55
KMT2A known ✓ Q03164 1/20 0.55
HTR2A known ✓ P28223 1/20 0.48
HTR2C known ✓ P28335 1/20 0.48
HTR2B known ✓ P41595 1/20 0.48
TAAR1 Q96RJ0 1/20 0.76
KDM4E B2RXH2 3/20 0.57
HPGD P15428 3/20 0.57
DRD5 P21918 3/20 0.57
MAPT P10636 2/20 0.57
CYP3A4 P08684 2/20 0.57
ADCY6 O43306 1/20 0.57
ADCY3 O60266 1/20 0.57
ADCY9 O60503 1/20 0.57
ADCY5 O95622 1/20 0.57
ADCY8 P40145 1/20 0.57
ADCY7 P51828 1/20 0.57

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
Maleic Acid SCHEMBL8147693 1.00 TAAR1 (0.76) TAAR1DRD1DRD2KDM4EHPGD
SCHEMBL2566292 0.88 TAAR1 (0.97) TAAR1DRD1DRD2KDM4EHPGD
Fumaric Acid SCHEMBL10345846 0.82 DRD1 (0.57) TAAR1DRD1DRD2KDM4EHPGD
Maleic Acid SCHEMBL10345844 0.82 DRD1 (0.57) TAAR1DRD1DRD2KDM4EHPGD
Fumaric Acid SCHEMBL175130 0.82 HTR2C (0.74) TAAR1ADRA2CBLMHTR2AHTR2C
Maleic Acid SCHEMBL174415 0.82 HTR2C (0.74) TAAR1ADRA2CBLMHTR2AHTR2C
Fumaric Acid SCHEMBL174417 0.82 HTR2C (0.74) TAAR1ADRA2CBLMHTR2AHTR2C
Maleic Acid SCHEMBL161822 0.78 TAAR1 (0.46) TAAR1DRD1DRD2MAPTCYP2C9
Fumaric Acid SCHEMBL159722 0.78 TAAR1 (0.46) TAAR1DRD1DRD2MAPTCYP2C9
Fumaric Acid SCHEMBL12504899 0.77 HTR2C (0.64) TAAR1DRD1DRD2KDM4EDRD5

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
EP-1043980-A2 METHOD OF REDUCING CRAVING IN MAMMALS SCHERING CORPORATION (US) 2000-10-18 EP disclosed
WO-1999021540-A2 METHOD OF REDUCING CRAVING IN MAMMALS SCHERING CORPORATION (US) 1999-05-06 WO disclosed