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Potassium Ion

Potassium Ion

SCHEMBL211320

CN(C(=O)NCc1cccc(F)c1Cl)[C@H](COC(=O)Nc1cc2ccccc2cn1)C[C@@H](O)COP(=O)([O-])[O-].[K+].[K+]

nearest known ligand 0.31

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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 4)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.31
▸ WNT1 P04628 1/20 0.30
▸ GSK3B P49841 1/20 0.30
▸ DYRK1A Q13627 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
SCHEMBL212783 0.99 NOTUM (0.32) NOTUMWNT1GSK3BDYRK1A
SCHEMBL2837941 0.94 NOTUM (0.33) NOTUMWNT1GSK3BDYRK1A
SCHEMBL210015 0.93 PIN1 (0.34) NOTUMWNT1GSK3BDYRK1A
SCHEMBL211938 0.93 PIN1 (0.34) NOTUMWNT1GSK3BDYRK1A
SCHEMBL210362 0.93 PIN1 (0.34) NOTUMWNT1GSK3BDYRK1A
SCHEMBL211937 0.93 PIN1 (0.34) NOTUMWNT1GSK3BDYRK1A
SCHEMBL211504 0.93 PIN1 (0.34) NOTUMWNT1GSK3BDYRK1A
SCHEMBL2725507 0.93 PIN1 (0.34) NOTUMWNT1GSK3BDYRK1A
SCHEMBL212784 0.93 PIN1 (0.34) NOTUMWNT1GSK3BDYRK1A
SCHEMBL211321 0.93 PIN1 (0.34) NOTUMWNT1GSK3BDYRK1A

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-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 — — US disclosed