Fumaric Acid

Fumaric Acid

SCHEMBL3452647

CCCCC=Cc1cnc2ccc(NCc3ccccn3)nn12.O=C(O)C=CC(=O)O

nearest known ligand 0.51

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
MEN1 known ✓ O00255 1/20 0.41
KMT2A known ✓ Q03164 1/20 0.41
JAK1 known ✓ P23458 1/20 0.37
FYN P06241 10/20 0.50
MKNK1 Q9BUB5 4/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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 SCHEMBL3452642 1.00 FYN (0.50) FYNMKNK1KDM4EMEN1ALDH1A1
SCHEMBL13110828 0.93 FYN (0.54) FYNMKNK1KDM4EALDH1A1JAK1
SCHEMBL13110900 0.90 FYN (0.53) FYNMKNK1KDM4EALDH1A1JAK1
Hydrochloric Acid SCHEMBL3454046 0.89 FYN (0.53) FYNMKNK1KDM4EALDH1A1JAK1
Hydrochloric Acid SCHEMBL3454050 0.89 FYN (0.53) FYNMKNK1KDM4EALDH1A1JAK1
SCHEMBL13110876 0.89 FYN (0.56) FYNMKNK1KDM4EJAK1NPC1
Hydrochloric Acid SCHEMBL3453516 0.88 FYN (0.55) FYNMKNK1KDM4EJAK1NPC1
Hydrochloric Acid SCHEMBL3453514 0.88 FYN (0.55) FYNMKNK1KDM4EJAK1NPC1
Fumaric Acid SCHEMBL3452553 0.83 FYN (0.61) FYNMKNK1
Fumaric Acid SCHEMBL3452560 0.83 FYN (0.61) FYNMKNK1

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-7820670-B2 6-aminoimidazo[1,2-b]pyridazine analogs as rho kinase inhibitors for the treatment of rho kinase-mediated diseases and conditions ALCON RESEARCH, LTD. (US) 2010-10-26 US disclosed
US-20080153813-A1 6-AMINOIMIDAZO[1,2-b]PYRIDAZINE ANALOGS AS RHO KINASE INHIBITORS FOR THE TREATMENT OF RHO KINASE-MEDIATED DISEASES AND CONDITIONS ALCON MANUFACTURING, LTD. (US) 2008-06-26 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-20080153813-A1 6-AMINOIMIDAZO[1,2-b]PYRIDAZINE ANALOGS AS RHO KINASE INHIBITORS FOR THE TREATMENT OF RHO KINASE-MEDIATED DISEASES AND CONDITIONS ROCK2, ROCK1, RHOT2 MEN1 3651/4885KMT2A 3434/4885JAK1 555/4885

“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.