Potassium Ion

Potassium Ion

SCHEMBL10455361

O=C([O-])c1cc(F)c(F)c(F)c1F.[K+]

nearest known ligand 0.52

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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 15)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 4/20 0.52
▸ CA2 P00918 4/20 0.52
▸ CA4 P22748 2/20 0.52
▸ CES2 O00748 10/20 0.41
▸ CES1 P23141 10/20 0.41
▸ TDP1 Q9NUW8 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CRBN Q96SW2 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.31
▸ KEAP1 Q14145 1/20 0.31
▸ NFE2L2 Q16236 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ BCHE P06276 1/20 0.31

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
SCHEMBL10455354 0.95 CA1 (0.52) CA1CA2CA4CES2CES1
SCHEMBL10455292 0.95 CA1 (0.52) CA1CA2CA4CES2CES1
SCHEMBL10455375 0.95 CA1 (0.52) CA1CA2CA4CES2CES1
Lithium Ion SCHEMBL28575314 0.95 CA1 (0.52) CA1CA2CA4CES2CES1
SCHEMBL10455294 0.95 CA1 (0.52) CA1CA2CA4CES2CES1
SCHEMBL9689516 0.95 CA1 (0.56) CA1CA2CA4CES2CES1
SCHEMBL31265347 0.78 CA1 (0.63) CA1CA2CA4CES2CES1
Fluoride SCHEMBL28471026 0.78 CES2 (0.46) CA1CA2CA4CES2CES1
SCHEMBL4851418 0.78 CES2 (0.46) CA1CA2CA4CES2CES1
Potassium Ion SCHEMBL31265349 0.77 CA1 (0.42) CA1CA2CA4CES2CES1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112368255-A Preparation method of halogenated polyfluorobenzene 谢尔盖·米哈伊洛维奇·伊古诺夫 2021-02-12 — — CN disclosed
EP-0194671-B1 METHOD FOR PRODUCTION OF 2, 3, 4, 5-TETRAFLUOROBENZOIC ACID Nippon Shokubai Kagaku Kogyo Co., Ltd (JP) 1990-12-19 — — EP disclosed
US-4769492-A Method for production of 2,3,4,5-tetrafluorobenzoic acid NIPPON SHOKUBAI KAGAKU KOGYO CO., LTD. (JP) 1988-09-06 — — US disclosed
EP-0194671-A2 Method for production of 2, 3, 4, 5-tetrafluorobenzoic acid Nippon Shokubai Kagaku Kogyo Co., Ltd (JP) 1986-09-17 — — EP disclosed
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