Potassium Ion

Potassium Ion

SCHEMBL7834907

COc1cc(OC)nc(Oc2ccc(N(C)C)nc2C(=O)[O-])n1.[K+]

nearest known ligand 0.46

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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 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
NPSR1 Q6W5P4 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40

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
SCHEMBL7844292 0.97 ALDH1A1 (0.41) ALDH1A1NPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL7843340 0.89 SMN1; SMN2 (0.48) ALDH1A1NPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL7843972 0.87 ALDH1A1 (0.42) ALDH1A1NPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL9145299 0.86 ALDH1A1 (0.41) ALDH1A1NPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL7844302 0.86 ALDH1A1 (0.41) ALDH1A1NPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL8326971 0.82 NPSR1 (0.41) ALDH1A1NPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL7846547 0.82 NPSR1 (0.41) ALDH1A1NPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL8330355 0.78 SMN1; SMN2 (0.46) ALDH1A1NPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL8322103 0.78 ALDH1A1 (0.38) ALDH1A1NPSR1
SCHEMBL8322100 0.78 SMN1; SMN2 (0.37) ALDH1A1NPSR1CYP1A2CYP3A4CYP2C9

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-0507962-B1 PICOLINIC ACID DERIVATIVE, PRODUCTION THEREOF, AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO (JP) 2001-06-13 EP disclosed
US-5391537-A Picolinic acid derivative, and herbicidal composition KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-02-21 US disclosed
EP-0507962-A1 PICOLINIC ACID DERIVATIVE, PRODUCTION THEREOF, AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1992-10-14 EP disclosed