Maleic Acid

Maleic Acid

SCHEMBL11238486

N=C(CCSCc1csc(N=C(N)N)n1)NNC(N)=O.O=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O

nearest known ligand 0.54

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Known targets — ChEMBL curated mechanism

ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2BTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3MPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PPARGSLC6A2SLC6A3SLC6A4SMOTYK2pol

The experimentally established mechanism targets of Maleic 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
HRH2 P25021 3/20 0.54
SLC22A2 O15244 2/20 0.54
CA12 O43570 2/20 0.54
SLC22A3 O75751 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
LMNA P02545 2/20 0.54
TSHR P16473 2/20 0.54
MAOA P21397 2/20 0.54
CA4 P22748 2/20 0.54
CA6 P23280 2/20 0.54
CA5A P35218 2/20 0.54
CA7 P43166 2/20 0.54
BLM P54132 2/20 0.54
PMP22 Q01453 2/20 0.54
POU5F1 Q01860 2/20 0.54
CA9 Q16790 2/20 0.54
SLC47A2 Q86VL8 2/20 0.54
CA13 Q8N1Q1 2/20 0.54
SLC47A1 Q96FL8 2/20 0.54

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 SCHEMBL11385711 0.86 HRH2 (0.56) HRH2SLC22A2CA12SLC22A3CA1
SCHEMBL11246474 0.85 HRH2 (0.60) HRH2SLC22A2CA12SLC22A3CA1
Maleic Acid SCHEMBL11387637 0.84 HRH2 (0.53) HRH2SLC22A2CA12SLC22A3CA1
Hydrochloric Acid SCHEMBL11249059 0.84 HRH2 (0.59) HRH2SLC22A2CA12SLC22A3CA1
SCHEMBL18335720 0.80 HRH2 (0.68) HRH2SLC22A2CA12SLC22A3CA1
Famotidine SCHEMBL27832811 0.80 HRH2 (0.86) HRH2SLC22A2CA12SLC22A3CA1
Famotidine SCHEMBL188452 0.79 HRH2 (0.67) HRH2SLC22A2CA12SLC22A3CA1
SCHEMBL16386284 0.79 HRH2 (0.66) HRH2SLC22A2CA12SLC22A3CA1
SCHEMBL9817418 0.79 HRH2 (0.70) HRH2SLC22A2CA12SLC22A3CA1
SCHEMBL11380937 0.78 HRH2 (0.63) HRH2SLC22A2CA12SLC22A3CA1

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-4362736-A ANTISECRETORY AGENTS, GASTRIC JUICE YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1982-12-07 US disclosed