Potassium Ion

Potassium Ion

SCHEMBL7994233

O=C([O-])c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1[N+](=O)[O-].[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 14)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.44
CASP6 P55212 1/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
TSHR P16473 4/20 0.40
DTYMK P23919 1/20 0.39
TXNRD1 Q16881 1/20 0.39
TXNRD3 Q86VQ6 1/20 0.39
TXNRD2 Q9NNW7 1/20 0.39
CES2 O00748 1/20 0.38
ALDH1A1 P00352 1/20 0.38
VCAM1 P19320 1/20 0.37
LMNA P02545 1/20 0.36
CTSD P07339 1/20 0.36

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
SCHEMBL11795768 0.96 CA1 (0.46) GPR35CASP6CA1CA2TSHR
Lithium Ion SCHEMBL29241856 0.96 GPR35 (0.44) GPR35CASP6CA1CA2TSHR
SCHEMBL304470 0.84 CASP6 (0.55) GPR35CASP6TSHRDTYMKCES2
SCHEMBL11777964 0.84 GPR35 (0.47) GPR35CASP6TSHRDTYMKTXNRD1
Potassium Ion SCHEMBL4088712 0.83 GPR35 (0.56) GPR35TSHRALDH1A1CTSD
SCHEMBL27501298 0.82 CASP6 (0.53) GPR35CASP6TSHRDTYMKCES2
SCHEMBL3278518 0.81 ALDH1A1 (0.46) GPR35CASP6TSHRDTYMKTXNRD1
SCHEMBL5576910 0.81 LMNA (0.46) GPR35CASP6TSHRALDH1A1LMNA
SCHEMBL10689189 0.79 ALDH1A1 (0.58) GPR35CASP6ALDH1A1LMNACTSD
SCHEMBL4103991 0.79 GPR35 (0.56) GPR35TSHRALDH1A1CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000026603-A1 NON-PRIMARY DETONATORS ORICA EXPLOSIVES TECHNOLOGY PTY. LTD. (AU) 2000-05-11 WO claimed
WO-2000026603-A1 NON-PRIMARY DETONATORS ORICA EXPLOSIVES TECHNOLOGY PTY. LTD. (AU) 2000-05-11 WO disclosed