Fumaric Acid

Fumaric Acid

SCHEMBL2165301

CN1CCN(c2cc(-c3ccc(C#N)cc3)nc(N)n2)CC1.O=C(O)C=CC(=O)O

nearest known ligand 0.81

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 10)

geneUniProtsupporting neighboursconfidence
HRH3 known ✓ Q9Y5N1 2/20 0.81
HTR1A known ✓ P08908 1/20 0.81
ADRA2A known ✓ P08913 1/20 0.81
ADRA2C known ✓ P18825 1/20 0.81
HTR2A known ✓ P28223 1/20 0.81
HTR2C known ✓ P28335 1/20 0.81
HRH4 Q9H3N8 10/20 0.81
HTR1D P28221 1/20 0.81
HTR7 P34969 1/20 0.81
HTR3A P46098 1/20 0.61

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 SCHEMBL2165298 1.00 HRH4 (0.81) HRH4HRH3HTR1AADRA2AADRA2C
SCHEMBL2166660 0.90 HRH4 (1.00) HRH4HRH3HTR1AADRA2AADRA2C
SCHEMBL604430 0.78 HRH4 (0.76) HRH4HRH3HTR1AADRA2AADRA2C
SCHEMBL2166460 0.77 HRH4 (1.00) HRH4HRH3HTR1AADRA2AADRA2C
SCHEMBL2166566 0.77 HRH4 (0.94) HRH4HRH3HTR1AADRA2AADRA2C
SCHEMBL2167865 0.77 HRH4 (1.00) HRH4HRH3HTR1AADRA2AADRA2C
SCHEMBL2808801 0.76 HRH4 (0.72) HRH4HRH3HTR1AADRA2AADRA2C
SCHEMBL2805813 0.76 HRH4 (0.61) HRH4HRH3HTR1AADRA2AADRA2C
SCHEMBL2166683 0.76 HRH4 (0.72) HRH4HRH3HTR1AADRA2AADRA2C
SCHEMBL2165529 0.76 HRH4 (0.72) HRH4HRH3HTR1AADRA2AADRA2C

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
US-7985745-B2 Including inflammatory pain, post surgical pain, and neuropathic pain; administering a histamine H4 receptor ligand alone or in combination with a histamine H1, H2, or H3 receptor antagonist or an enzyme inhibitor ABBOTT LABORATORIES (US) 2011-07-26 US disclosed
US-20080194538-A1 Method for Pain Treatment ABBVIE INC. 2008-08-14 US disclosed

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-20080194538-A1 Method for Pain Treatment HRH4, HRH3, HRH2 HRH3 2/4885HTR1A 90/4885ADRA2A 159/4885

“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.