Potassium Ion

Potassium Ion

SCHEMBL9650798

CC(C)(C)C(=O)C(C#N)=C([O-])c1ccc(Cl)cc1[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 19)

geneUniProtsupporting neighboursconfidence
GABRA1 known ✓ P14867 3/20 0.39
GABRG2 known ✓ P18507 3/20 0.39
GABRB3 known ✓ P28472 3/20 0.39
GABRB2 known ✓ P47870 2/20 0.39
FLT1 P17948 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44
VCAM1 P19320 1/20 0.44
HPGD P15428 5/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
POLB P06746 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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 SCHEMBL9650785 1.00 FLT1 (0.44) FLT1FLT4KDRVCAM1HPGD
Lithium Ion SCHEMBL9653324 0.98 FLT1 (0.44) FLT1FLT4KDRVCAM1HPGD
SCHEMBL9650692 0.98 FLT1 (0.44) FLT1FLT4KDRVCAM1HPGD
SCHEMBL9652129 0.98 FLT1 (0.44) FLT1FLT4KDRVCAM1HPGD
Lithium Ion SCHEMBL9653317 0.98 FLT1 (0.44) FLT1FLT4KDRVCAM1HPGD
SCHEMBL9652136 0.98 FLT1 (0.44) FLT1FLT4KDRVCAM1HPGD
SCHEMBL9650710 0.87 VCAM1 (0.45) FLT1FLT4KDRVCAM1HPGD
SCHEMBL9650708 0.87 VCAM1 (0.45) FLT1FLT4KDRVCAM1HPGD
SCHEMBL9650793 0.86 VCAM1 (0.44) FLT1FLT4KDRVCAM1HPGD
SCHEMBL9653321 0.86 VCAM1 (0.44) FLT1FLT4KDRVCAM1HPGD

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-0213892-B1 HERBICIDALLY ACTIVE ENOLS ROHM AND HAAS COMPANY (US) 1992-03-25 EP disclosed
US-4781750-A Herbicidally active enols ROHM AND HAAS COMPANY (US) 1988-11-01 US disclosed
EP-0213892-A2 Herbicidally active enols ROHM AND HAAS COMPANY (US) 1987-03-11 EP disclosed