Potassium Ion

Potassium Ion

SCHEMBL4428007

CC(C)(C)OC(=O)N1CCc2cc(C(=O)[O-])ccc2C1.[K+]

nearest known ligand 0.69

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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 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.69
NR1H2 P55055 1/20 0.60
HDAC6 Q9UBN7 4/20 0.51
HDAC8 Q9BY41 2/20 0.51
MAPK1 P28482 2/20 0.45
ABHD6 Q9BV23 2/20 0.44
HDAC1 Q13547 2/20 0.44
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
ESR1 P03372 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NAMPT P43490 1/20 0.42

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
SCHEMBL306991 0.87 ESR2 (0.72) ESR2NR1H2HDAC6HDAC8MAPK1
SCHEMBL1365145 0.87 ESR2 (0.72) ESR2NR1H2HDAC6HDAC8MAPK1
SCHEMBL29406723 0.87 ESR2 (0.72) ESR2NR1H2HDAC6HDAC8MAPK1
SCHEMBL14063061 0.86 ESR2 (0.70) ESR2NR1H2HDAC6HDAC8MAPK1
SCHEMBL4689450 0.86 ESR2 (0.70) ESR2NR1H2HDAC6HDAC8MAPK1
SCHEMBL23124701 0.85 ESR2 (0.69) ESR2NR1H2HDAC6HDAC8MAPK1
SCHEMBL14063092 0.85 ESR2 (0.69) ESR2NR1H2HDAC6HDAC8MAPK1
SCHEMBL30301758 0.85 ESR2 (0.69) ESR2NR1H2HDAC6HDAC8MAPK1
SCHEMBL3024823 0.85 ESR2 (0.69) ESR2NR1H2HDAC6HDAC8MAPK1
SCHEMBL31553409 0.84 ESR2 (0.67) ESR2NR1H2HDAC6HDAC8MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125741-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR Janssen Pharmaceutica, N.V. (BE) 2009-12-02 EP disclosed
US-20090099158-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-16 US disclosed
WO-2008109336-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-12 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090099158-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR HRH3, HRH4, HRH1 ESR2 1284/4885NR1H2 99/4885HDAC6 848/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.