Potassium Ion

Potassium Ion

SCHEMBL6704617

CCOC(C(=O)[O-])N1CCNCC1.[K+]

nearest known ligand 0.33

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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 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.33
OPRD1 P41143 8/20 0.33
OPRM1 P35372 4/20 0.33
CHRM5 P08912 1/20 0.33
CHRM3 P20309 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
SLC6A2 P23975 3/20 0.31
SLC6A4 P31645 3/20 0.31
CACNA1F O60840 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CACNA1D Q01668 1/20 0.30
SLC6A3 Q01959 1/20 0.30
KCNH2 Q12809 1/20 0.30
CACNA1S Q13698 1/20 0.30
CACNA1C Q13936 1/20 0.30

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
SCHEMBL1652270 0.83 OPRD1 (0.37) SIGMAR1OPRD1OPRM1CHRM5CHRM3
SCHEMBL27387610 0.81 OPRD1 (0.36) SIGMAR1OPRD1OPRM1CHRM5CHRM3
SCHEMBL27360345 0.81 ALDH1A1 (0.38) SIGMAR1OPRD1OPRM1CHRM5CHRM3
Hydrochloric Acid SCHEMBL27387046 0.81 OPRD1 (0.36) SIGMAR1OPRD1OPRM1CHRM5CHRM3
Hydrochloric Acid SCHEMBL7953553 0.80 ALDH1A1 (0.37) SIGMAR1OPRD1OPRM1CHRM5CHRM3
SCHEMBL13986461 0.71 SMN1; SMN2 (0.40) SIGMAR1OPRD1OPRM1CHRM5CHRM3
SCHEMBL16266998 0.70 SLC6A2 (0.36) OPRD1SMN1; SMN2SLC6A2SLC6A4CACNA1F
SCHEMBL4754794 0.69 SMN1; SMN2 (0.35) SIGMAR1OPRD1OPRM1SMN1; SMN2SLC6A2
SCHEMBL7307461 0.69 SMN1; SMN2 (0.37) SIGMAR1OPRD1CHRM5CHRM3SMN1; SMN2
SCHEMBL8039857 0.69 SMN1; SMN2 (0.37) SIGMAR1OPRD1CHRM5CHRM3SMN1; SMN2

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
US-20040266787-A1 Novel amorphous form of [2-[4-[(4-chlorophenyl)-phenyl methyl]-1-piperazinyl]ethoxy]acetic acid and process for the preparation thereof DR. REDDY'S LABORATORIES LIMITED 2004-12-30 US disclosed
US-20040132743-A1 Amorphous form of (-)-[2-[4-[(4-Chlorophenyl)-phenyl methyl]-1- piperazinyl] ethoxy] acetic acid dihydrochloride (levocetirizine dihydrochloride) DR. REDDY'S LABORATORIES LIMITED DR. REDDY'S LABORATORIES, INC. 2004-07-08 US disclosed
WO-2003104212-A1 A NOVEL AMORPHOUS FORM OF [2-[4-[(4-CHLOROPHENYL)-PHENYL METHYL]-1- PIPERAZINYL] ETHOXY] ACETIC ACID DIHYDROCHLORIDE (CETIRIZINE DIHYDROCHLORIDE) DR.REDDY'S LABORATORIES LTD. (IN) 2003-12-18 WO disclosed
WO-2003104211-A2 CRYSTALLINE [2-[4-[(4-CHLOROPHENYL)-PHENYL METHYL]-1-PIPERAZINYL] ETHOXY] ACETIC ACID DIHYDROCHLORIDE DR. REDDY'S LABORATORIES LIMITED (IN) 2003-12-18 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 (2 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-20040132743-A1 Amorphous form of (-)-[2-[4-[(4-Chlorophenyl)-phenyl methyl]-1- piperazinyl] ethoxy] acetic acid dihydrochloride (levocetirizine dihydrochloride) HRH4, HRH1, HRH2 SIGMAR1 1262/4885OPRD1 1332/4885OPRM1 1517/4885
US-20040266787-A1 Novel amorphous form of [2-[4-[(4-chlorophenyl)-phenyl methyl]-1-piperazinyl]ethoxy]acetic acid and process for the preparation thereof CMA1, MAST1, ADRM1 SIGMAR1 236/4885OPRD1 2527/4885OPRM1 1760/4885

“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.