Potassium Ion

Potassium Ion

SCHEMBL29020190

O=C([O-])c1cc(-c2ccc(C(F)(F)F)cc2)nc(Cl)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 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.46
CASP1 P29466 1/20 0.45
ADORA3 P0DMS8 1/20 0.44
P2RY14 Q15391 4/20 0.40
DHODH Q02127 1/20 0.40
SCN9A Q15858 2/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
TOP1 P11387 1/20 0.37
RAD51 Q06609 1/20 0.37
KIF11 P52732 1/20 0.37
KDM1A O60341 1/20 0.37
LTB4R Q15722 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL3408828 0.86 KMO (0.62) KMOCASP1ADORA3P2RY14TP53
Potassium Ion SCHEMBL29020126 0.85 KMO (0.50) KMOADORA3DHODHSCN9AMAPT
Potassium SCHEMBL29961608 0.84 KMO (0.61) KMOCASP1ADORA3P2RY14TP53
SCHEMBL29020161 0.84 KMO (0.61) KMOCASP1ADORA3P2RY14TP53
Potassium Ion SCHEMBL28802979 0.84 KMO (0.51) KMOCASP1ADORA3DHODHMAPT
Potassium Ion SCHEMBL29020198 0.83 DHODH (0.50) KMOADORA3DHODHSCN9A
SCHEMBL18002850 0.81 MAPT (0.48) KMOCASP1ADORA3SCN9ATP53
SCHEMBL3404202 0.81 ADORA3 (0.45) KMOCASP1ADORA3SCN9AMAPT
SCHEMBL3408549 0.78 ALDH1A1 (0.52) CASP1ADORA3TP53POLBMAPT
SCHEMBL3410771 0.78 ADORA3 (0.43) KMOCASP1ADORA3SCN9AMAPT

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
CN-115093400-B AhR inhibitor, application and preparation method thereof 北京华森英诺生物科技有限公司 2023-09-05 CN disclosed
CN-115093400-A AhR inhibitor and application and preparation method thereof 重庆华森制药股份有限公司 2022-09-23 CN disclosed