Fumaric Acid

Fumaric Acid

SCHEMBL4897340

CN(C)CC[C@@H](Oc1cccc2ccccc12)c1cccs1.O=C(O)C=CC(=O)O

nearest known ligand 0.64

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
SLC6A2 known ✓ P23975 11/20 0.59
SLC6A4 known ✓ P31645 11/20 0.59
SLC6A3 known ✓ Q01959 10/20 0.59
HTR1A known ✓ P08908 2/20 0.59
MLNR known ✓ O43193 1/20 0.59
CACNA1F known ✓ O60840 1/20 0.59
ADRB1 known ✓ P08588 1/20 0.59
DRD2 known ✓ P14416 1/20 0.59
ADRA2B known ✓ P18089 1/20 0.59
ADRA2C known ✓ P18825 1/20 0.59
HTR2A known ✓ P28223 1/20 0.59
HTR2C known ✓ P28335 1/20 0.59
ADRA1A known ✓ P35348 1/20 0.59
HRH1 known ✓ P35367 1/20 0.59
HTR2B known ✓ P41595 1/20 0.59
CACNA1D known ✓ Q01668 1/20 0.59
KMT2A known ✓ Q03164 1/20 0.59
KCNH2 known ✓ Q12809 1/20 0.59
CACNA1S known ✓ Q13698 1/20 0.59
CACNA1C known ✓ Q13936 1/20 0.59

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 SCHEMBL4621200 1.00 CACNA2D1 (0.64) CACNA2D1SLC6A2SLC6A4SLC6A3HTR1A
Fumaric Acid SCHEMBL5318539 1.00 CACNA2D1 (0.64) CACNA2D1SLC6A2SLC6A4SLC6A3HTR1A
Fumaric Acid SCHEMBL3760530 1.00 CACNA2D1 (0.64) CACNA2D1SLC6A2SLC6A4SLC6A3HTR1A
Maleic Acid SCHEMBL4620894 1.00 CACNA2D1 (0.64) CACNA2D1SLC6A2SLC6A4SLC6A3HTR1A
Fumaric Acid SCHEMBL3760528 1.00 CACNA2D1 (0.64) CACNA2D1SLC6A2SLC6A4SLC6A3HTR1A
Maleic Acid SCHEMBL3760520 1.00 CACNA2D1 (0.64) CACNA2D1SLC6A2SLC6A4SLC6A3HTR1A
Oxalic Acid SCHEMBL1535363 0.93 CACNA2D1 (0.67) CACNA2D1SLC6A2SLC6A4SLC6A3HTR1A
Oxalic Acid SCHEMBL2740 0.93 CACNA2D1 (0.67) CACNA2D1SLC6A2SLC6A4SLC6A3HTR1A
Oxalic Acid SCHEMBL3312526 0.93 CACNA2D1 (0.67) CACNA2D1SLC6A2SLC6A4SLC6A3HTR1A
Succinic Acid SCHEMBL5530810 0.91 CACNA2D1 (0.65) CACNA2D1SLC6A2SLC6A4SLC6A3HTR1A

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-20080015362-A1 Process for the preparation of optically active (S)-(+)-N,N-dimethyl-3-(1-naphthalenyloxy)-3-(2-thienyl)propanamine TEVA PHARMACEUTICALS USA, INC. 2008-01-17 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080015362-A1 Process for the preparation of optically active (S)-(+)-N,N-dimethyl-3-(1-naphthalenyloxy)-3-(2-thienyl)propanamine HTR3A, PNMT, TPH1 SLC6A2 58/4885SLC6A4 46/4885SLC6A3 39/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.