Potassium Ion

Potassium Ion

SCHEMBL8072318

CC(C)COC(=O)c1cc(C=Cc2ccc(S(=O)(=O)[O-])cc2)ccc1O.CC(C)COC(=O)c1cc(C=Cc2ccc(S(=O)(=O)[O-])cc2)ccc1O.[K+].[K+]

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

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
PTGS2 known ✓ P35354 4/20 0.48
PTGS1 known ✓ P23219 1/20 0.38
ALDH1A1 P00352 3/20 0.46
TSHR P16473 1/20 0.46
PTPN1 P18031 5/20 0.43
PTPN2 P17706 1/20 0.43
PTPN6 P29350 1/20 0.43
HNF4A P41235 1/20 0.40
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SLC7A11 Q9UPY5 1/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 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
SCHEMBL8072316 0.88 PTGS2 (0.48) PTGS2ALDH1A1TSHRPTPN1PTPN2
Potassium SCHEMBL8072319 0.88 PTGS2 (0.48) PTGS2ALDH1A1TSHRPTPN1PTPN2
Potassium Ion SCHEMBL8067246 0.85 ALDH1A1 (0.43) ALDH1A1TSHRNPC1MAPTHTT
Potassium Ion SCHEMBL8074126 0.83 PTGS2 (0.70) PTGS2TSHRPTPN1PTPN2PTPN6
SCHEMBL8072366 0.78 SLC7A11 (0.69) ALDH1A1TSHRMAPTSMN1; SMN2SLC7A11
SCHEMBL8072369 0.78 SLC7A11 (0.69) ALDH1A1TSHRMAPTSMN1; SMN2SLC7A11
SCHEMBL8069256 0.77 ALDH1A1 (0.51) PTGS2ALDH1A1TSHRPTPN1PTPN2
SCHEMBL8068575 0.77 SLC7A11 (0.52) PTGS2ALDH1A1TSHRMAPTHTT
SCHEMBL8068573 0.77 SLC7A11 (0.52) PTGS2ALDH1A1TSHRMAPTHTT
SCHEMBL4603175 0.76 ALDH1A1 (0.57) ALDH1A1TSHRNPC1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0613468-B1 Substituted salicylic acids for the treatment of autoimmune diseases PHARMACIA & UPJOHN AB (SE) 2000-07-12 EP disclosed
US-5556855-A TREATMENT OF AUTOIMMUNE DISEASES PHARMACIA AB (SE) 1996-09-17 US disclosed
US-5403930-A Chemical intermediate for drugs used in autoimmune diseases PHARMACIA AB (SE) 1995-04-04 US disclosed
EP-0613468-A1 NOVEL SUBSTITUTED SALICYCLIC ACIDS Pharmacia & Upjohn Aktiebolag (SE) 1994-09-07 EP disclosed
US-5302718-A Used for treating autoimmune diseases KABI PHARMACIA AB (SE) 1994-04-12 US disclosed
WO-1993010094-A1 NOVEL SUBSTITUTED SALICYCLIC ACIDS KABI PHARMACIA AB (SE) 1993-05-27 WO disclosed