Fumaric Acid

Fumaric Acid

SCHEMBL7091553

CC(N)Cn1ccc2ccc(O)cc21.O=C(O)C=CC(=O)O

nearest known ligand 0.57

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 19)

geneUniProtsupporting neighboursconfidence
HTR2C known ✓ P28335 16/20 0.57
HTR2A known ✓ P28223 14/20 0.57
HTR2B known ✓ P41595 3/20 0.47
HTR1A known ✓ P08908 2/20 0.47
ADRA2A known ✓ P08913 2/20 0.47
ADRA2B known ✓ P18089 2/20 0.47
ADRA2C known ✓ P18825 2/20 0.47
HTR4 known ✓ Q13639 1/20 0.47
HTR1D P28221 1/20 0.47
HTR7 P34969 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
NPSR1 Q6W5P4 2/20 0.44
BLM P54132 1/20 0.44
BACE1 P56817 1/20 0.41
LMNA P02545 1/20 0.40
PMP22 Q01453 1/20 0.40
GFER P55789 1/20 0.40

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 SCHEMBL7091552 1.00 HTR2C (0.57) HTR2CHTR2AHTR2BHTR1AADRA2A
SCHEMBL7998321 0.89 HTR2C (0.69) HTR2CHTR2AHTR2BHTR1AADRA2A
SCHEMBL7995866 0.89 HTR2C (0.69) HTR2CHTR2AHTR2BHTR1AADRA2A
SCHEMBL7092848 0.89 HTR2C (0.69) HTR2CHTR2AHTR2BHTR1AADRA2A
Fumaric Acid SCHEMBL8959577 0.87 HTR2C (0.77) HTR2CHTR2AHTR2BCYP1A2CYP3A4
Fumaric Acid SCHEMBL8959584 0.87 HTR2C (0.77) HTR2CHTR2AHTR2BCYP1A2CYP3A4
Fumaric Acid SCHEMBL8959556 0.86 HTR2C (0.78) HTR2CHTR2AHTR2BCYP1A2CYP3A4
Fumaric Acid SCHEMBL7997834 0.86 HTR2C (0.61) HTR2CHTR2AHTR2BCYP1A2CYP3A4
Fumaric Acid SCHEMBL8959564 0.86 HTR2C (0.78) HTR2CHTR2AHTR2BCYP1A2CYP3A4
Fumaric Acid SCHEMBL7997829 0.86 HTR2C (0.61) HTR2CHTR2AHTR2BCYP1A2CYP3A4

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-20030114512-A1 Compounds with 5-ht2 and 5-ht1a agonist activity for treating glaucoma ALCON UNIVERSAL LTD. (CH) 2003-06-19 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-20030114512-A1 Compounds with 5-ht2 and 5-ht1a agonist activity for treating glaucoma HTR1A, HTR2A, HTR5A HTR2C 6/4885HTR2A 2/4885HTR2B 13/4885

“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.