Potassium Ion

Potassium Ion

SCHEMBL2111187

O=C([O-])c1ccc(C2(NC(=O)c3cc(Cl)cc4ccn(Cc5ccc(C(F)(F)F)cc5)c34)CC2)cc1.[K+]

nearest known ligand 0.84

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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 8)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 18/20 0.84
PTGDR Q13258 7/20 0.84
PTGER2 P43116 2/20 0.66
TBXA2R P21731 1/20 0.66
PTGER1 P34995 1/20 0.66
PTGFR P43088 1/20 0.66
PTGER3 P43115 1/20 0.66
PDE2A O00408 2/20 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
Potassium Ion SCHEMBL2109494 0.92 PTGER4 (0.72) PTGER4PTGDRPTGER2TBXA2RPTGER1
SCHEMBL10019020 0.92 PTGER4 (1.00) PTGER4PTGDRPTGER2TBXA2RPTGER1
SCHEMBL2111190 0.91 PTGER4 (0.98) PTGER4PTGDRPTGER2TBXA2RPTGER1
SCHEMBL10050711 0.87 PTGER4 (0.80) PTGER4PTGDRPTGER2TBXA2RPTGER1
SCHEMBL10019023 0.84 PTGER4 (0.85) PTGER4PTGDRPTGER2TBXA2RPTGER1
SCHEMBL2109496 0.83 PTGER4 (0.84) PTGER4PTGDRPTGER2TBXA2RPTGER1
SCHEMBL2108724 0.82 PTGER4 (0.71) PTGER4PTGDRPTGER2TBXA2RPTGER1
SCHEMBL31366898 0.81 PTGER4 (0.80) PTGER4PTGDRPTGER2TBXA2RPTGER1
SCHEMBL25376489 0.80 PTGER4 (0.79) PTGER4PTGDRPTGER2TBXA2RPTGER1
SCHEMBL31610949 0.80 PTGER4 (0.69) PTGER4PTGDRPTGER2TBXA2RPTGER1

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-2114877-B1 INDOLE AND INDOLINE CYCLOPROPYL AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS MERCK CANADA INC (CA) 2012-12-26 EP disclosed
US-8158671-B2 Indole and indoline cyclopropyl amide derivatives as EP4 receptor antagonists MERCK CANADA INC. (CA) 2012-04-17 US disclosed