Potassium Ion

SCHEMBL2220679

CN(CCO)c1nc(Nc2ccccc2)nc(Nc2ccc(C=Cc3ccc(Nc4nc(Nc5ccccc5)nc(N(C)CCO)n4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)n1.[K+].[K+]

nearest known ligand 0.55

Known targets — ChEMBL curated mechanism

AGTR1 DHFR GABBR1 GABBR2 GABRA1 GABRA2 GABRA3 GABRA4 GABRA5 GABRA6 GABRB1 GABRB2 GABRB3 GABRD GABRE GABRG1 GABRG2 GABRG3 GABRP GABRQ GART NR3C2 PBP2X PTGS1 PTGS2 VKORC1 bla blaT-3 blaT-4 blaT-5 blaT-6 dacA dacB dacC folA ftsI mrcA mrcB mrdA pbp1a pbp1b pbp2a pbp2b pbp3 pol thyA

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 12)

	gene	UniProt	supporting neighbours	confidence
▸	CA1	P00915	8/20	0.55

▸	CA2	P00918	8/20	0.55

▸	CA9	Q16790	8/20	0.55

▸	CA12	O43570	6/20	0.55

▸	RAD51	Q06609	6/20	0.43

▸	ALDH1A1	P00352	1/20	0.38

▸	NPSR1	Q6W5P4	1/20	0.37

▸	RECQL	P46063	1/20	0.37

▸	MCL1	Q07820	1/20	0.37

▸	NPY5R	Q15761	1/20	0.36

▸	EGFR	P00533	1/20	0.36

▸	RHOA	P61586	1/20	0.36

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.

Compound	similarity	top predicted	shared targets
SCHEMBL3144480	0.98	CA1 (0.55)	CA1CA2CA9CA12RAD51
SCHEMBL344719	0.98	CA1 (0.55)	CA1CA2CA9CA12RAD51
SCHEMBL29404788	0.98	CA1 (0.55)	CA1CA2CA9CA12RAD51
SCHEMBL29351875	0.98	CA1 (0.55)	CA1CA2CA9CA12RAD51
SCHEMBL2217925	0.94	CA1 (0.51)	CA1CA2CA9CA12RAD51
SCHEMBL15268409	0.92	CA1 (0.49)	CA1CA2CA9CA12RAD51
SCHEMBL15268408	0.92	CA1 (0.49)	CA1CA2CA9CA12RAD51
SCHEMBL789843	0.91	CA1 (0.53)	CA1CA2CA9CA12ALDH1A1
SCHEMBL30449330	0.91	CA1 (0.53)	CA1CA2CA9CA12ALDH1A1
SCHEMBL789844	0.91	CA1 (0.53)	CA1CA2CA9CA12ALDH1A1

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-8546300-B2	Thermosensitive recording material and image recording method	RICOH COMPANY, LTD. (JP)	2013-10-01	—	—	US	disclosed
US-20110177941-A1	THERMOSENSITIVE RECORDING MATERIAL AND IMAGE RECORDING METHOD	RICOH COMPANY, LTD. (JP)	2011-07-21	—	—	US	disclosed