Potassium Ion

Potassium Ion

SCHEMBL6777986

N#C/C(=C\C(=O)[O-])c1ccc(Cl)cc1.[K+]

nearest known ligand 0.52

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Known targets — ChEMBL curated mechanism

AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA

The experimentally established mechanism targets of Potassium Ion. 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
CA1 P00915 4/20 0.52
CA2 P00918 4/20 0.52
NPSR1 Q6W5P4 5/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 3/20 0.41
HTT P42858 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
TDP1 Q9NUW8 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
RECQL P46063 2/20 0.40
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
ALOX15 P16050 1/20 0.39

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
Potassium Ion SCHEMBL6676933 1.00 CA1 (0.52) CA1CA2NPSR1ALDH1A1MAPT
Potassium Ion SCHEMBL1471146 0.83 CA1 (0.52) CA1CA2NPSR1ALDH1A1MAPT
Potassium Ion SCHEMBL1471564 0.83 CA1 (0.52) CA1CA2ALDH1A1MAPTHPGD
Potassium Ion SCHEMBL9467831 0.83 CA1 (0.52) CA1CA2ALDH1A1MAPTHPGD
Potassium Ion SCHEMBL1471147 0.83 CA1 (0.52) CA1CA2NPSR1ALDH1A1MAPT
Potassium Ion SCHEMBL9469732 0.83 CYP1A2 (0.45) CA1CA2NPSR1ALDH1A1MAPT
Potassium Ion SCHEMBL1471563 0.83 CA1 (0.52) CA1CA2ALDH1A1MAPTHPGD
SCHEMBL1791409 0.82 ALOX15 (0.47) CA1CA2NPSR1ALDH1A1MAPT
SCHEMBL18382447 0.82 ALOX15 (0.47) CA1CA2NPSR1ALDH1A1MAPT
Potassium Ion SCHEMBL9468116 0.82 CA2 (0.47) CA1CA2NPSR1ALDH1A1MAPT

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-6680283-B1 TREATMENT OF PLANTS, AND ALSO FOR THE THERAPEUTIC TREATMENT OF HUMAN DISORDERS CAUSED BY HARMFUL FUNGI, AND FOR THE VETERINARY TREATMENT OF MAMMALS BASF AKTIENGESELLSCHAFT (DE) 2004-01-20 US disclosed
US-6586369-B1 Agriculture BASF AKTIENGESELLSCHAFT (DE) 2003-07-01 US disclosed
US-5206392-A Reacting arylacetonitriles with glyoxylic acid in presence of base, hydrolyzing, cyclizing AMERICAN CYANAMID COMPANY (US) 1993-04-27 US disclosed