Potassium Ion

Potassium Ion

SCHEMBL9469732

Cc1ccc(/C(C#N)=C/C(=O)[O-])cc1.[K+]

nearest known ligand 0.45

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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
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
HIF1A Q16665 1/20 0.45
ALDH1A1 P00352 11/20 0.41
LMNA P02545 7/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
NPSR1 Q6W5P4 4/20 0.41
HPGD P15428 4/20 0.41
PKM P14618 3/20 0.41
HTT P42858 3/20 0.41
ATM Q13315 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
NLRP1 Q9C000 1/20 0.41
NTSR1 P30989 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
MAPT P10636 6/20 0.41
NPC1 O15118 3/20 0.41

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 SCHEMBL9467831 0.83 CA1 (0.52) CYP1A2ALDH1A1LMNASMN1; SMN2MEN1
Potassium Ion SCHEMBL6676933 0.83 CA1 (0.52) CYP1A2CYP3A4ALDH1A1SMN1; SMN2MEN1
Potassium Ion SCHEMBL1471563 0.83 CA1 (0.52) CYP1A2ALDH1A1LMNASMN1; SMN2MEN1
Potassium Ion SCHEMBL1471147 0.83 CA1 (0.52) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
Potassium Ion SCHEMBL1471146 0.83 CA1 (0.52) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
Potassium Ion SCHEMBL6777986 0.83 CA1 (0.52) CYP1A2CYP3A4ALDH1A1SMN1; SMN2MEN1
Potassium Ion SCHEMBL1471564 0.83 CA1 (0.52) CYP1A2ALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL23465057 0.82 ALDH1A1 (0.47) CYP1A2CYP3A4HIF1AALDH1A1LMNA
SCHEMBL16561212 0.82 ALDH1A1 (0.47) CYP1A2CYP3A4HIF1AALDH1A1LMNA
Potassium Ion SCHEMBL9468116 0.82 CA2 (0.47) CYP1A2ALDH1A1LMNASMN1; SMN2MEN1

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-5206392-A Reacting arylacetonitriles with glyoxylic acid in presence of base, hydrolyzing, cyclizing AMERICAN CYANAMID COMPANY (US) 1993-04-27 US disclosed