Potassium Ion

Potassium Ion

SCHEMBL367740

O=C(NCCO)c1ccc2c(C(=O)[O-])c3ccccn3c2c1.[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
KDM4E B2RXH2 4/20 0.44
HPGD P15428 4/20 0.44
ALDH1A1 P00352 4/20 0.44
HTT P42858 2/20 0.41
POLB P06746 2/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
PARP1 P09874 1/20 0.39
SMN1; SMN2 Q16637 6/20 0.39
MAPT P10636 3/20 0.39
ACSS2 Q9NR19 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 2/20 0.38
CASP1 P29466 1/20 0.38
TSHR P16473 1/20 0.38
BRD4 O60885 1/20 0.38
LMNA P02545 2/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 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
SCHEMBL365908 0.88 KDM4E (0.45) KDM4EHPGDALDH1A1HTTPOLB
SCHEMBL31060260 0.88 KDM4E (0.45) KDM4EHPGDALDH1A1HTTPOLB
Potassium Ion SCHEMBL366533 0.88 HPGD (0.45) KDM4EHPGDALDH1A1HTTNPC1
Potassium Ion SCHEMBL364976 0.87 EGFR (0.47) KDM4EHPGDALDH1A1MAPTACSS2
SCHEMBL365749 0.85 KDM4E (0.45) KDM4EHPGDALDH1A1HTTPOLB
Potassium Ion SCHEMBL367741 0.81 LMNA (0.44) KDM4EHPGDALDH1A1HTTPOLB
Potassium Ion SCHEMBL364866 0.79 MAPT (0.40) KDM4EHPGDALDH1A1HTTMAPT
SCHEMBL366389 0.79 ALDH1A1 (0.44) KDM4EHPGDALDH1A1HTTPOLB
SCHEMBL365238 0.77 EGFR (0.53) KDM4EHPGDALDH1A1HTTMAPT
SCHEMBL364295 0.76 HPGD (0.47) KDM4EHPGDALDH1A1HTTNPC1

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