Potassium Ion

Potassium Ion

SCHEMBL9811067

CCCOC(=O)CC(CSc1nc2ccccc2s1)C(=O)[O-].[K+]

nearest known ligand 0.50

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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
ALDH1A1 P00352 6/20 0.50
HPGD P15428 2/20 0.50
MAPT P10636 3/20 0.47
APEX1 P27695 2/20 0.46
POLB P06746 2/20 0.46
RECQL P46063 1/20 0.46
ALOX5 P09917 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPK1 P28482 2/20 0.44
TSHR P16473 2/20 0.44
HTT P42858 1/20 0.44
ELANE P08246 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL9811015 0.90 ALDH1A1 (0.52) ALDH1A1HPGDMAPTAPEX1POLB
SCHEMBL10761935 0.90 ALDH1A1 (0.52) ALDH1A1HPGDMAPTAPEX1POLB
SCHEMBL9811041 0.85 ALDH1A1 (0.54) ALDH1A1HPGDMAPTAPEX1POLB
Zinc Ion SCHEMBL9811248 0.84 MAPK1 (0.50) ALDH1A1HPGDMAPTAPEX1POLB
SCHEMBL9811210 0.84 ALDH1A1 (0.50) ALDH1A1HPGDMAPTAPEX1POLB
Potassium Ion SCHEMBL10897421 0.84 APEX1 (0.56) ALDH1A1HPGDMAPTAPEX1POLB
SCHEMBL9811031 0.83 ALDH1A1 (0.49) ALDH1A1HPGDMAPTAPEX1POLB
SCHEMBL9811202 0.82 ALDH1A1 (0.48) ALDH1A1HPGDMAPTAPEX1POLB
SCHEMBL9811040 0.82 ALDH1A1 (0.55) ALDH1A1HPGDMAPTAPEX1POLB
SCHEMBL10598608 0.81 APEX1 (0.56) ALDH1A1HPGDMAPTAPEX1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0161219-B1 HETEROCYCLIC MERCAPTOCARBOXYLIC-ACID ESTERS AND ANHYDRIDES AS CORROSION INHIBITING AGENTS CIBA-GEIGY AG (CH) 1991-06-12 EP disclosed
US-4696763-A PAINTS, BLENDS CIBA-GEIGY CORPORATION (US) 1987-09-29 US disclosed