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Potassium Ion

Potassium Ion

SCHEMBL7336271

CCCc1cc(C(=O)[O-])ccc1OC(C)(C(=O)NS(=O)(=O)c1ccc(C(C)C)cc1)c1ccc2c(c1)OCO2.CCCc1cc(C(=O)[O-])ccc1OC(C)(C(=O)NS(=O)(=O)c1ccc(C(C)C)cc1)c1ccc2c(c1)OCO2.[K+].[K+]

nearest known ligand 0.59

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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 3)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 known ✓ P30556 2/20 0.44
▸ EDNRA P25101 11/20 0.59
▸ EDNRB P24530 7/20 0.59

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
SCHEMBL7330512 0.92 EDNRA (0.59) EDNRAEDNRBAGTR1
L-754142 SCHEMBL4202652 0.81 EDNRA (0.86) EDNRAEDNRBAGTR1
SCHEMBL7332944 0.74 EDNRA (0.88) EDNRAEDNRBAGTR1
L-754142 SCHEMBL29551244 0.74 EDNRA (1.00) EDNRAEDNRBAGTR1
L-754142 SCHEMBL4193035 0.74 EDNRA (1.00) EDNRAEDNRBAGTR1
SCHEMBL7338352 0.74 EDNRA (0.45) EDNRAEDNRBAGTR1
SCHEMBL7329183 0.73 EDNRA (0.86) EDNRAEDNRBAGTR1
L-754142 SCHEMBL7722258 0.73 EDNRA (0.98) EDNRAEDNRBAGTR1
L-754142 SCHEMBL4202655 0.73 EDNRA (0.98) EDNRAEDNRBAGTR1
SCHEMBL8904650 0.73 EDNRA (0.85) EDNRAEDNRBAGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996009818-A1 ENDOTHELIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF EMESIS MERCK & CO., INC. (US) 1996-04-04 — — WO claimed
US-5767310-A Phenoxyphenylacetic acid derivatives MERCK & CO., INC. (US) 1998-06-16 — — US disclosed
US-5668176-A ENDOTHELIN ANTAGONIST MERCK & CO. INC. (US) 1997-09-16 — — US disclosed
US-5565485-A TREATING CARDIOVASCULAR DISORDERS MERCK & CO., INC. (US) 1996-10-15 — — US disclosed
WO-1996009818-A1 ENDOTHELIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF EMESIS MERCK & CO., INC. (US) 1996-04-04 — — WO disclosed
WO-1996004905-A1 PHENOXYPHENYLACETIC ACID DERIVATIVES MERCK & CO., INC. (US) 1996-02-22 — — WO disclosed
WO-1994021590-A1 PHENOXYPHENYLACETIC ACID DERIVATIVES MERCK & CO., INC. (US) 1994-09-29 — — WO disclosed
EP-0617001-A1 Phenoxyphenylacetic acid derivatives MERCK & CO. INC. (US) 1994-09-28 — — EP disclosed