Potassium Ion

Potassium Ion

SCHEMBL3924936

CCS(=O)(=O)c1cccc([N+](=O)[O-])c1.O=[N+]([O-])[O-].[K+]

nearest known ligand 0.64

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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
KMT2A Q03164 4/20 0.64
GAA P10253 1/20 0.64
HTT P42858 1/20 0.64
CA2 P00918 2/20 0.60
CA5A P35218 1/20 0.60
MEN1 O00255 2/20 0.58
CA1 P00915 1/20 0.55
MMP1 P03956 1/20 0.55
MMP2 P08253 1/20 0.55
MMP9 P14780 1/20 0.55
MMP8 P22894 1/20 0.55
MMP13 P45452 1/20 0.55
MAPT P10636 2/20 0.55
CYP19A1 P11511 1/20 0.52
LMNA P02545 3/20 0.52
TSHR P16473 2/20 0.52
F2 P00734 2/20 0.51
PRSS1 P07477 2/20 0.51
PRSS2 P07478 2/20 0.51
PRSS3 P35030 2/20 0.51

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
SCHEMBL2876686 0.97 KMT2A (0.68) KMT2AGAAHTTCA2CA5A
Phenol SCHEMBL28106348 0.86 KMT2A (0.55) KMT2AGAAHTTCA2CA5A
SCHEMBL681532 0.85 KMT2A (0.62) KMT2AGAAHTTCA2CA5A
SCHEMBL27950143 0.84 KMT2A (0.70) KMT2AGAAHTTCA2CA5A
SCHEMBL4161667 0.83 KMT2A (0.58) KMT2AGAAHTTCA2CA5A
SCHEMBL11754726 0.81 KMT2A (0.66) KMT2AGAAHTTCA2CA5A
SCHEMBL14515514 0.81 KMT2A (0.66) KMT2AGAAHTTCA2CA5A
SCHEMBL7653407 0.81 KMT2A (0.60) KMT2AGAAHTTCA2CA5A
Potassium Ion SCHEMBL10474224 0.79 KMT2A (0.72) KMT2AGAAHTTCA2CA5A
SCHEMBL5899427 0.79 KMT2A (0.72) KMT2AGAAHTTCA2CA5A

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-2041085-A1 PYRROLE DERIVATIVES AND THEIR METHODS OF USE Abbott Laboratories (US) 2009-04-01 EP disclosed
WO-2008002974-A1 PYRROLE DERIVATIVES AND THEIR METHODS OF USE ABBOTT LABORATORIES (US) 2008-01-03 WO disclosed