Potassium Ion

Potassium Ion

SCHEMBL28537818

CCOc1cccc(CC(=O)[O-])c1.[K+]

nearest known ligand 0.51

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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
DHFR known ✓ P00374 1/20 0.46
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
CHRM2 P08172 1/20 0.51
CHRM1 P11229 1/20 0.51
CHRM3 P20309 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
LTB4R Q15722 1/20 0.50
LTB4R2 Q9NPC1 1/20 0.50
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
TP53 P04637 2/20 0.47
CYP3A4 P08684 2/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
MAPK1 P28482 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47

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
SCHEMBL16902814 0.85 SMN1; SMN2 (0.53) RXRARXRBCHRM2CHRM1CHRM3
SCHEMBL2458898 0.85 PLA2G4B (0.59) RXRARXRBCHRM2CHRM1CHRM3
SCHEMBL6599200 0.83 SMN1; SMN2 (0.51) RXRARXRBCHRM2CHRM1CHRM3
SCHEMBL11216912 0.83 SMN1; SMN2 (0.51) RXRARXRBCHRM2CHRM1CHRM3
SCHEMBL4010528 0.83 TP53 (0.51) RXRARXRBCHRM2CHRM1CHRM3
SCHEMBL31285834 0.82 PPARA (0.57) RXRARXRBCHRM2CHRM1CHRM3
SCHEMBL2767480 0.82 SMN1; SMN2 (0.53) RXRARXRBCHRM2CHRM1CHRM3
SCHEMBL2008583 0.82 PPARA (0.57) RXRARXRBCHRM2CHRM1CHRM3
SCHEMBL22527262 0.81 SMN1; SMN2 (0.49) RXRARXRBCHRM2CHRM1CHRM3
SCHEMBL4214472 0.80 RXRA (0.62) RXRARXRBMRGPRX4PLA2G4B

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
CN-111848598-A Heterocyclic ring-containing compound, application thereof and composition containing heterocyclic ring-containing compound 健艾仕生物医药有限公司 2020-10-30 CN disclosed