Potassium Ion

Potassium Ion

SCHEMBL30725705

COc1ccc(CN(c2nccc(C(C(=O)[O-])C(C)C)n2)S(=O)(=O)C2CC2)cc1.[K+]

nearest known ligand 0.37

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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 9)

geneUniProtsupporting neighboursconfidence
APLNR P35414 11/20 0.37
TAS2R14 Q9NYV8 3/20 0.36
PTGES O14684 1/20 0.36
MMP2 P08253 3/20 0.35
MMP9 P14780 3/20 0.35
MMP8 P22894 3/20 0.35
MMP13 P45452 3/20 0.35
CXCR3 P49682 2/20 0.35
BMP1 P13497 1/20 0.35

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 SCHEMBL28474917 1.00 APLNR (0.37) APLNRTAS2R14PTGESMMP2MMP9
SCHEMBL22924965 0.91 APLNR (0.38) APLNRTAS2R14PTGESMMP2MMP9
SCHEMBL21392057 0.90 APLNR (0.38) APLNRTAS2R14PTGESMMP2MMP9
SCHEMBL30416333 0.90 APLNR (0.38) APLNRTAS2R14PTGESMMP2MMP9
Potassium SCHEMBL30882859 0.90 APLNR (0.38) APLNRTAS2R14PTGESMMP2MMP9
SCHEMBL29228057 0.90 APLNR (0.38) APLNRTAS2R14PTGESMMP2MMP9
SCHEMBL22924968 0.86 APLNR (0.35) APLNRTAS2R14PTGESMMP2MMP9
Potassium Ion SCHEMBL25285698 0.86 TAS2R14 (0.36) APLNRTAS2R14PTGESCXCR3
SCHEMBL25778783 0.82 APLNR (0.37) APLNR
SCHEMBL21392069 0.81 APLNR (0.36) APLNRTAS2R14PTGESCXCR3

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
CN-111868051-B Aminopyrimidine derivatives as CTPS1 inhibitors 斯泰普制药股份公司 2024-04-09 CN disclosed
EP-3768674-B1 AMINOPYRIMIDINE DERIVATIVES AS CTPS1 INHIBITORS STEP PHARMA S A S (FR) 2024-01-03 EP disclosed