Potassium Ion

Potassium Ion

SCHEMBL4527368

O=C([O-])c1ccc2c(c1)CCN(Cc1ccc(C(F)(F)F)cc1)C2.[K+]

nearest known ligand 0.57

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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
▸ ACACB O00763 4/20 0.57
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ HPGD P15428 2/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ NOD1 Q9Y239 4/20 0.47
▸ TNF P01375 3/20 0.47
▸ NOD2 Q9HC29 3/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ HIF1A Q16665 1/20 0.45

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
SCHEMBL1263457 0.85 HDAC6 (0.62) ACACBMEN1KMT2AHDAC6SMN1; SMN2
SCHEMBL4517559 0.84 ACACB (0.66) ACACBMEN1KMT2AHDAC6SMN1; SMN2
SCHEMBL2095548 0.81 ACACB (0.57) ACACBMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL4524637 0.79 ACACB (0.59) ACACBSMN1; SMN2HPGDCYP3A4CYP2D6
SCHEMBL4505609 0.79 HRH3 (0.55) ACACBSMN1; SMN2HPGDCYP3A4CYP2D6
SCHEMBL1264734 0.79 HDAC6 (0.69) ACACBHDAC6CYP2C19
SCHEMBL17565147 0.78 ACACB (0.57) ACACBKMT2ASMN1; SMN2KDM4ENOD1
SCHEMBL17565148 0.78 ACACB (0.55) ACACBKMT2AHDAC6KDM4EALDH1A1
SCHEMBL4523229 0.78 HRH3 (0.57) ACACBSMN1; SMN2HPGDCYP3A4CYP2D6
SCHEMBL4157838 0.76 MEN1 (0.58) MEN1KMT2ASMN1; SMN2KDM4EHPGD

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 ACACB 3914/4885MEN1 1876/4885KMT2A 153/4885

“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.

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