Potassium Ion

Potassium Ion

SCHEMBL4798604

CCN(c1ccc(C(F)(F)F)cc1)c1ccc(O)c(C(=O)[O-])c1.[K+]

nearest known ligand 0.40

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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
▸ PTGS1 known ✓ P23219 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.40
▸ HSP90AB1 P08238 1/20 0.40
▸ P2RX1 P51575 4/20 0.38
▸ PIK3CA P42336 1/20 0.37
▸ TMPRSS4 Q9NRS4 2/20 0.37
▸ P2RX4 Q99571 1/20 0.37
▸ P2RX7 Q99572 1/20 0.37
▸ PDK2 Q15119 1/20 0.36
▸ PDK4 Q16654 1/20 0.36
▸ PDK1 Q15118 1/20 0.35
▸ HDAC8 Q9BY41 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ MLYCD O95822 1/20 0.33
▸ KIF11 P52732 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
SCHEMBL3417238 0.87 MEN1 (0.46) HSP90AA1HSP90AB1P2RX1PIK3CAMEN1
SCHEMBL4116150 0.86 MEN1 (0.45) HSP90AA1HSP90AB1P2RX1PIK3CAMEN1
SCHEMBL4463291 0.82 P2RX1 (0.39) HSP90AA1HSP90AB1P2RX1PIK3CATMPRSS4
SCHEMBL10786186 0.74 CES2 (0.50) P2RX1PIK3CATMPRSS4P2RX4P2RX7
SCHEMBL5512932 0.69 ALDH1A1 (0.48) CRHBPCRHR2KIF11
Potassium Ion SCHEMBL4116152 0.68 RORC (0.47) P2RX1PIK3CATMPRSS4P2RX4P2RX7
SCHEMBL24450665 0.65 MEN1 (0.47) HSP90AA1HSP90AB1P2RX1PIK3CATMPRSS4
SCHEMBL8949391 0.65 KDM4E (0.40) HSP90AA1HSP90AB1P2RX1PIK3CATMPRSS4
Trifluoroacetic Acid SCHEMBL25310766 0.65 HSP90AA1 (0.50) HSP90AA1HSP90AB1P2RX1HDAC8MEN1
SCHEMBL13618923 0.65 PTPN11 (0.45) P2RX1PIK3CAPDK2PDK4PDK1

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
EP-2004164-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING DEGENERATIVE AND INFLAMMATORY DISEASES Neurotech Co., Ltd. (KR) 2008-12-24 — — EP disclosed
WO-2007119973-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING DEGENERATIVE AND INFLAMMATORY DISEASES NEUROTECH CO., LTD. (KR) 2007-10-25 — — WO disclosed
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