Fumaric Acid

Fumaric Acid

SCHEMBL9819823

CCCCCCCCN1CCN(C(=O)C2CSC(c3cccnc3)N2)CC1.O=C(O)C=CC(=O)O

nearest known ligand 0.70

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 8)

geneUniProtsupporting neighboursconfidence
▸ PTAFR P25105 1/20 0.70
▸ KDM4E B2RXH2 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ TBXAS1 P24557 5/20 0.49
▸ S1PR3 Q99500 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43

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 SCHEMBL9819820 1.00 PTAFR (0.70) PTAFRKDM4EALDH1A1TBXAS1S1PR3
SCHEMBL9819936 0.95 PTAFR (0.75) PTAFRKDM4EALDH1A1TBXAS1POLB
Hydrochloric Acid SCHEMBL9819882 0.94 PTAFR (0.73) PTAFRKDM4EALDH1A1TBXAS1POLB
Fumaric Acid SCHEMBL10651563 0.84 PTAFR (0.65) PTAFRKDM4EALDH1A1TBXAS1
Fumaric Acid SCHEMBL29961145 0.84 PTAFR (0.65) PTAFRKDM4EALDH1A1TBXAS1
Fumaric Acid SCHEMBL9819910 0.84 PTAFR (0.65) PTAFRKDM4EALDH1A1TBXAS1
Fumaric Acid SCHEMBL10651556 0.84 PTAFR (0.65) PTAFRKDM4EALDH1A1TBXAS1
Fumaric Acid SCHEMBL9819914 0.84 PTAFR (0.65) PTAFRKDM4EALDH1A1TBXAS1
Hydrochloric Acid SCHEMBL9819839 0.83 PTAFR (0.93) PTAFRKDM4EALDH1A1TBXAS1
SCHEMBL9819753 0.83 PTAFR (1.00) PTAFRKDM4EALDH1A1TBXAS1

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-4987132-A PLATELET ACTIVATING FACTOR ANTAGONISTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-01-22 — — US disclosed
Send feedback