Maleic Acid

Maleic Acid

SCHEMBL9734878

O=C(O)/C=C\C(=O)O.O=C1CCC(C(=O)N2CCN(CC(=O)N3CCSCC3)CC2)N1

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

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
DPP4 known ✓ P27487 2/20 0.31
TPSAB1 Q15661 1/20 0.40
TPSD1 Q9BZJ3 1/20 0.40
TPSG1 Q9NRR2 1/20 0.40
TGM2 P21980 1/20 0.37
NAMPT P43490 4/20 0.36
PARP1 P09874 1/20 0.35
EPHX2 P34913 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.32
CNR2 P34972 1/20 0.31
WNT3 P56703 1/20 0.31
SFRP1 Q8N474 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL9735111 0.93 TPSAB1 (0.41) TPSAB1TPSD1TPSG1TGM2NAMPT
Maleic Acid SCHEMBL9735173 0.88 TPSAB1 (0.47) TPSAB1TPSD1TPSG1TGM2NAMPT
Fumaric Acid SCHEMBL9735177 0.88 TPSAB1 (0.47) TPSAB1TPSD1TPSG1TGM2NAMPT
Maleic Acid SCHEMBL8824254 0.87 ALOX15 (0.45) TPSAB1TPSD1TPSG1TGM2NAMPT
Fumaric Acid SCHEMBL9735611 0.83 TSHR (0.46) TPSAB1TPSD1TPSG1TGM2NAMPT
Fumaric Acid SCHEMBL9735616 0.83 TSHR (0.46) TPSAB1TPSD1TPSG1TGM2NAMPT
SCHEMBL9734807 0.82 GAA (0.46) TPSAB1TPSD1TPSG1TGM2NAMPT
SCHEMBL9735768 0.81 GAA (0.49) TPSAB1TPSD1TPSG1TGM2NAMPT
SCHEMBL9735396 0.81 GAA (0.51) TPSAB1TPSD1TPSG1TGM2NAMPT
SCHEMBL9735518 0.81 TGM2 (0.45) TPSAB1TPSD1TPSG1TGM2NAMPT

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-5102882-A Nootropic agents NIPPON SHINYAKU CO., LTD. (JP) 1992-04-07 US disclosed