Potassium Ion

Potassium Ion

SCHEMBL9744147

CCn1c(C(=O)[O-])cc(=O)c2cc(F)c(N3CCN(C(=O)OC(C)(C)C)CC3)cc21.[K+]

nearest known ligand 0.42

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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 4/20 0.42
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 2/20 0.40
MAPT P10636 6/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HTT P42858 2/20 0.39
KCNH2 Q12809 1/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL9744143 0.90 HSD17B10 (0.45) ALDH1A1KDM4EHSD17B10MAPTSMN1; SMN2
Potassium SCHEMBL9744154 0.90 HSD17B10 (0.45) ALDH1A1KDM4EHSD17B10MAPTSMN1; SMN2
SCHEMBL21937028 0.73 MAPT (0.51) ALDH1A1KDM4EHSD17B10MAPTSMN1; SMN2
SCHEMBL30306133 0.72 HSD17B10 (0.75) ALDH1A1KDM4EHSD17B10SMN1; SMN2LMNA
SCHEMBL4768364 0.72 HSD17B10 (0.75) ALDH1A1KDM4EHSD17B10SMN1; SMN2LMNA
SCHEMBL9743791 0.71 DRD3 (0.45) ALDH1A1KDM4EHSD17B10MAPTSMN1; SMN2
SCHEMBL9743778 0.71 DRD3 (0.45) ALDH1A1KDM4EHSD17B10MAPTSMN1; SMN2
SCHEMBL9302272 0.71 MAPT (0.42) ALDH1A1KDM4EHSD17B10MAPTSMN1; SMN2
SCHEMBL9633140 0.71 KDM4E (0.63) ALDH1A1KDM4EHSD17B10SMN1; SMN2LMNA
SCHEMBL9302880 0.70 HTT (0.46) ALDH1A1KDM4EHSD17B10MAPTSMN1; SMN2

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-5147871-A Anti-bacterial cephalosporin compounds HOFFMANN LA-ROCHE, INC. (US) 1992-09-15 US disclosed