Potassium Ion

Potassium Ion

SCHEMBL367741

O=C(NCCO)c1ccc2c(C(=O)[O-])c3ccccc3n2c1.[K+]

nearest known ligand 0.44

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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
LMNA P02545 1/20 0.44
KDM4E B2RXH2 6/20 0.43
HPGD P15428 4/20 0.43
ALDH1A1 P00352 3/20 0.43
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 3/20 0.39
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
HSD17B10 Q99714 2/20 0.37
TP53 P04637 1/20 0.37
GLA P06280 1/20 0.37

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
SCHEMBL365909 0.88 LMNA (0.45) LMNAKDM4EHPGDALDH1A1NPSR1
Potassium Ion SCHEMBL366534 0.87 ALDH1A1 (0.47) KDM4EHPGDALDH1A1GAASMN1; SMN2
Potassium Ion SCHEMBL364977 0.86 EGFR (0.51) LMNAKDM4EHPGDALDH1A1HTT
SCHEMBL365750 0.85 POLB (0.46) LMNAKDM4EHPGDALDH1A1NPSR1
Potassium Ion SCHEMBL367740 0.81 KDM4E (0.44) LMNAKDM4EHPGDALDH1A1NPSR1
Potassium Ion SCHEMBL364867 0.78 ALDH1A1 (0.40) LMNAKDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL366390 0.78 ALDH1A1 (0.45) LMNAKDM4EHPGDALDH1A1NPSR1
SCHEMBL364296 0.75 ALDH1A1 (0.49) LMNAKDM4EHPGDALDH1A1GAA
SCHEMBL365666 0.75 HPGD (0.52) KDM4EHPGDALDH1A1GAASMN1; SMN2
SCHEMBL366536 0.74 EGFR (0.53) KDM4EHPGDALDH1A1HSD17B10MAPT

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
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed