Fumaric Acid

Fumaric Acid

SCHEMBL9249495

CCC(O)CO.O=C(O)C=CC(=O)O

nearest known ligand 0.43

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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 20)

geneUniProtsupporting neighboursconfidence
MEN1 known ✓ O00255 1/20 0.35
KMT2A known ✓ Q03164 1/20 0.35
TSHR P16473 2/20 0.43
TP53 P04637 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
EGLN3 Q9H6Z9 1/20 0.43
HCAR2 Q8TDS4 6/20 0.41
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 1/20 0.36
OR51E2 Q9H255 1/20 0.35
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34

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 SCHEMBL10717022 0.85 TSHR (0.53) TSHRTP53EGLN1EGLN3HCAR2
Maleic Acid SCHEMBL6482002 0.85 TSHR (0.53) TSHRTP53EGLN1EGLN3HCAR2
Fumaric Acid SCHEMBL6482004 0.85 TSHR (0.53) TSHRTP53EGLN1EGLN3HCAR2
Bicarbonate SCHEMBL1525700 0.85 LMNA (0.44) TSHRTP53ALDH1A1LMNAMEN1
Fumaric Acid SCHEMBL15689550 0.85 TSHR (0.53) TSHRTP53EGLN1EGLN3HCAR2
Fumaric Acid SCHEMBL4439688 0.85 TSHR (0.53) TSHRTP53EGLN1EGLN3HCAR2
Maleic Acid SCHEMBL29021089 0.85 TSHR (0.53) TSHRTP53EGLN1EGLN3HCAR2
Fumaric Acid SCHEMBL29021076 0.85 TSHR (0.53) TSHRTP53EGLN1EGLN3HCAR2
Fumaric Acid SCHEMBL19347274 0.85 TSHR (0.53) TSHRTP53EGLN1EGLN3HCAR2
Acrylic Acid SCHEMBL9562386 0.84 LMNA (0.46) TSHRALDH1A1LMNAMEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5451667-A SPORICIDES, MICROBIOCIDES SPEISER PETER P (CH) 1995-09-19 US disclosed
US-5149695-A Antipsoriatic, antimicrobial SPEISER PETER P (CH) 1992-09-22 US disclosed
US-4851439-A TREATMENT OF PSORIASIS SPEISER PETER P (CH) 1989-07-25 US disclosed