Maleic Acid

Maleic Acid

SCHEMBL6982359

O=C(O)/C=C\C(=O)O.O=c1c(Cc2cccnc2)cn2c3cc(Br)ccc3c3cc(OCCCO)cc1c32

nearest known ligand 0.35

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 17)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 7/20 0.34
PTAFR P25105 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRA5 P31644 1/20 0.33
FPR1 P21462 1/20 0.33
FPR2 P25090 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
KCNA5 P22460 2/20 0.32
KCNJ5 P48544 2/20 0.32
KCNJ3 P48549 2/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
LSS P48449 1/20 0.31
CHRNA7 P36544 1/20 0.31
LRRK2 Q5S007 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
Fumaric Acid SCHEMBL6982366 1.00 TBXAS1 (0.34) TBXAS1PTAFRGABRA1GABRA5FPR1
SCHEMBL1961296 0.94 GABRA1 (0.36) TBXAS1PTAFRGABRA1GABRA5FPR1
Hydrochloric Acid SCHEMBL6977314 0.94 GABRA1 (0.36) TBXAS1PTAFRGABRA1GABRA5FPR1
Sulfuric Acid SCHEMBL6983443 0.91 GABRA1 (0.35) TBXAS1PTAFRGABRA1GABRA5FPR1
SCHEMBL7668963 0.91 GABRA1 (0.36) TBXAS1PTAFRGABRA1GABRA5FPR1
Nitric Acid SCHEMBL6981278 0.90 CYP19A1 (0.35) TBXAS1PTAFRGABRA1GABRA5FPR1
SCHEMBL7084093 0.90 MCL1 (0.35) TBXAS1PTAFRGABRA1GABRA5FPR1
SCHEMBL6978829 0.88 GABRA1 (0.36) TBXAS1PTAFRGABRA1GABRA5FPR1
SCHEMBL6974311 0.87 GABRA1 (0.37) TBXAS1PTAFRGABRA1GABRA5FPR1
SCHEMBL7671370 0.87 GABRA1 (0.34) TBXAS1PTAFRGABRA1GABRA5FPR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0985671-B1 PYRIDOCARBAZOLE DERIVATIVES HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARM CO LTD (JP) 2003-04-02 EP disclosed
US-6197768-B1 THERAPY, PREVENTION ISCHEMIC HEART DISEASE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2001-03-06 US disclosed
EP-0985671-A1 PYRIDOCARBAZOLE DERIVATIVES HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-03-15 EP disclosed
US-6018046-A SELECTIVE ACTION IN INHIBITING CYCLIC GMP-PHOSPHODIESTERASE (CGMP-PDE); PHARMACEUTICALS FOR TREATING DISEASES AGAINST WHICH THE INHIBITORY ACTION IS EFFECTIVE, SUCH AS PULMONARY HYPERTENSION MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-01-25 US disclosed