Potassium Ion

Potassium Ion

SCHEMBL6442452

O=C([O-])C(Cl)CCOCc1ccccc1.[K+]

nearest known ligand 0.44

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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
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
TSHR P16473 1/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP2C19 P33261 1/20 0.42
FOLH1 Q04609 1/20 0.41
SLC1A1 P43005 1/20 0.39
LMNA P02545 1/20 0.39
CA1 P00915 2/20 0.38
ALPL P05186 1/20 0.38
POLB P06746 1/20 0.38
ALPG P10696 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AGTR2 P50052 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
Potassium Ion SCHEMBL7927849 0.91 HTT (0.43) SMN1; SMN2HTTTSHRALDH1A1CYP2C19
SCHEMBL6444779 0.85 SMN1; SMN2 (0.48) SMN1; SMN2HTTTSHRALDH1A1CYP2C19
SCHEMBL6442451 0.84 SMN1; SMN2 (0.47) SMN1; SMN2HTTTSHRALDH1A1CYP2C19
Potassium Ion SCHEMBL809092 0.84 SLC1A1 (0.48) SMN1; SMN2HTTTSHRALDH1A1FOLH1
SCHEMBL809238 0.81 SLC1A1 (0.48) SMN1; SMN2HTTTSHRALDH1A1FOLH1
SCHEMBL2973368 0.76 TSHR (0.52) SMN1; SMN2HTTTSHRALDH1A1CYP2C19
SCHEMBL20477353 0.76 SMN1; SMN2 (0.44) SMN1; SMN2HTTTSHRALDH1A1CYP2C19
Potassium SCHEMBL7927858 0.75 HTT (0.44) SMN1; SMN2HTTTSHRALDH1A1CYP2C19
SCHEMBL5217777 0.73 CYP2C19 (0.49) SMN1; SMN2HTTTSHRALDH1A1CYP2C19
SCHEMBL27711652 0.73 CYP2C19 (0.49) SMN1; SMN2HTTTSHRALDH1A1CYP2C19

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-1699325-A A process for the preparation of 2-chloro-3-(phenylmethoxy)propionic acid potassium salt BRACCO IMAGING SPA (IT) 2005-11-23 CN disclosed
EP-1095009-B1 A PROCESS FOR THE PREPARATION OF 4-CARBOXY- 5,8,11- TRIS(CARBOXYMETHYL)- 1-PHENYL- 2-OXA- 5,8,11- TRIAZATRIDECAN- 13-OIC ACID BRACCO IMAGING SPA (IT) 2005-06-15 EP disclosed
CN-1307558-A Process for preparing 4-carboxy-5, 8, 11-tris (carboxymethyl) -1-phenyl-2-oxa-5, 8, 11-triazatridecane-13-oic acid BRACCO IMAGING SPA (IT) 2001-08-08 CN disclosed
US-6162947-A Process for the preparation of 4-carboxy-5, 8,11-tris (carboxymethyl)-phenyl-2-oxa-5, 8 11-triazatridecan DIBRA S.P.A. (IT) 2000-12-19 US disclosed