Potassium Ion

Potassium Ion

SCHEMBL11036367

CC(C)OC(=O)C(C#N)=C([S-])S.[K+]

nearest known ligand 0.41

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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 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.41
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.32
ADRA1A P35348 1/20 0.31
PDE4D Q08499 1/20 0.31
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PTP4A3 O75365 1/20 0.30
PTP4A2 Q12974 1/20 0.30
PTP4A1 Q93096 1/20 0.30
MAPT P10636 1/20 0.30

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 SCHEMBL11036364 0.85 HPGD (0.43) HPGDCA12CA1CA2CA9
SCHEMBL10991319 0.82 HPGD (0.44) HPGDALDH1A1TSHRADRA1APDE4D
SCHEMBL11036370 0.81 HPGD (0.43) HPGDALDH1A1TSHRADRA1APDE4D
SCHEMBL1493366 0.70 ALDH1A1 (0.48) HPGDCA12CA1CA2CA9
SCHEMBL9068628 0.69 ALDH1A1 (0.52) HPGDALDH1A1TSHRGAASMN1; SMN2
SCHEMBL4624468 0.68 HPGD (0.40) HPGDALDH1A1TSHR
SCHEMBL4624472 0.68 HPGD (0.40) HPGDALDH1A1TSHR
SCHEMBL4624470 0.67 HPGD (0.39) HPGDALDH1A1
SCHEMBL13007000 0.67 HPGD (0.42) HPGDCA1CA2ALDH1A1TSHR
SCHEMBL7776858 0.66 HPGD (0.39) HPGDALDH1A1

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
JP-59204187-A None JP disclosed
JP-S59204187-A DITHIOLANE DERIVATIVE, ITS USE AND ITS PREPARATION NIPPON NOHYAKU CO LTD 1984-11-19 JP disclosed