Potassium Ion

Potassium Ion

SCHEMBL29020114

O=C([O-])c1cc(-c2ccnc(F)c2)nc(Cl)n1.[K+]

nearest known ligand 0.45

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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 13)

geneUniProtsupporting neighboursconfidence
KMO O15229 7/20 0.45
MAP4K4 O95819 3/20 0.39
MINK1 Q8N4C8 3/20 0.39
TNIK Q9UKE5 3/20 0.39
IDO1 P14902 1/20 0.38
SYK P43405 2/20 0.38
MAPK1 P28482 1/20 0.37
ELOVL1 Q9BW60 1/20 0.36
ADORA2B P29275 2/20 0.35
ADORA2A P29274 1/20 0.35
NQO2 P16083 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
AKT1 P31749 1/20 0.33

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
SCHEMBL29062403 0.85 KMO (0.59) KMOMAP4K4MINK1TNIKIDO1
Potassium Ion SCHEMBL29020126 0.81 KMO (0.50) KMOADORA2A
Potassium Ion SCHEMBL28802979 0.77 KMO (0.51) KMO
Potassium Ion SCHEMBL29020190 0.74 KMO (0.46) KMO
SCHEMBL823967 0.73 MAP4K4 (0.51) KMOMAP4K4MINK1TNIKIDO1
Potassium Ion SCHEMBL29020215 0.71 KMO (0.46) KMO
Potassium Ion SCHEMBL29020198 0.71 DHODH (0.50) KMO
SCHEMBL29961689 0.68 KMO (0.51) KMOMAP4K4
SCHEMBL29020201 0.68 KMO (0.51) KMOMAP4K4
Potassium Ion SCHEMBL30569988 0.68 S1PR2 (0.43) KMO

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