Fumaric Acid

Fumaric Acid

SCHEMBL3454016

CCCC/C=C/c1cnc2ccc(NCCN(C)C)nn12.O=C(O)/C=C/C(=O)O

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRB1ADRB2ATP4AATP4BAXLCHRM2CHRM3DRD2FLT3HRH1HTR2AHTR2BHTR2CKCNH2KMT2AMAP2K1MAP2K2MEN1MLNRPLK4RENS1PR1SLC6A2SLC6A4atpAatpBatpCatpDatpEatpFatpFHatpGpol

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 4)

geneUniProtsupporting neighboursconfidence
FYN P06241 8/20 0.52
MKNK1 Q9BUB5 1/20 0.43
IKBKB O14920 10/20 0.40
AAK1 Q2M2I8 1/20 0.38

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
SCHEMBL12761352 0.92 FYN (0.56) FYNMKNK1IKBKB
Fumaric Acid SCHEMBL3452553 0.89 FYN (0.61) FYNMKNK1IKBKB
Fumaric Acid SCHEMBL3452560 0.89 FYN (0.61) FYNMKNK1IKBKB
SCHEMBL13110967 0.87 FYN (0.58) FYNMKNK1IKBKB
Fumaric Acid SCHEMBL3454184 0.87 FYN (0.52) FYNMKNK1
Fumaric Acid SCHEMBL3454186 0.87 FYN (0.52) FYNMKNK1
SCHEMBL3454138 0.86 FYN (0.54) FYNMKNK1IKBKB
SCHEMBL13110970 0.83 FYN (0.55) FYNMKNK1IKBKB
SCHEMBL3452667 0.83 FYN (0.55) FYNMKNK1IKBKB
SCHEMBL3452669 0.83 FYN (0.55) FYNMKNK1IKBKB

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 FYN 856/4885MKNK1 342/4885IKBKB 524/4885

“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.