Potassium Ion

Potassium Ion

SCHEMBL8069274

COC(=O)c1cc(C=Cc2ccc(S(=O)(=O)[O-])cc2)ccc1OC(C)=O.[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 1/20 0.48
JUN P05412 1/20 0.44
NFKB1 P19838 1/20 0.44
VCP P55072 1/20 0.43
TUBB4A P04350 2/20 0.43
TUBB P07437 2/20 0.43
TUBA3C P0DPH7 2/20 0.43
TUBA1B P68363 2/20 0.43
TUBA4A P68366 2/20 0.43
TUBB4B P68371 2/20 0.43
TUBB3 Q13509 2/20 0.43
TUBB2A Q13885 2/20 0.43
TUBB8 Q3ZCM7 2/20 0.43
TUBA3E Q6PEY2 2/20 0.43
TUBA1A Q71U36 2/20 0.43
TUBA1C Q9BQE3 2/20 0.43
TUBB6 Q9BUF5 2/20 0.43
TUBB2B Q9BVA1 2/20 0.43
TUBB1 Q9H4B7 2/20 0.43
KMT2A Q03164 4/20 0.43

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
SCHEMBL8071774 0.88 PTGS2 (0.48) PTGS2JUNNFKB1VCPTUBB4A
SCHEMBL8069277 0.88 PTGS2 (0.48) PTGS2JUNNFKB1VCPTUBB4A
SCHEMBL8071771 0.88 PTGS2 (0.48) PTGS2JUNNFKB1VCPTUBB4A
SCHEMBL8069273 0.88 PTGS2 (0.48) PTGS2JUNNFKB1VCPTUBB4A
Potassium Ion SCHEMBL8067246 0.84 ALDH1A1 (0.43) JUNNFKB1VCPTUBB4ATUBB
Potassium Ion SCHEMBL8074126 0.83 PTGS2 (0.70) PTGS2KMT2AMEN1LMNATTR
Potassium Ion SCHEMBL11744394 0.81 PTGS1 (0.42) PTGS2KDM4EMAPTRAB9AALDH1A1
Potassium Ion SCHEMBL11744384 0.81 PTGS1 (0.42) PTGS2KDM4EMAPTRAB9AALDH1A1
SCHEMBL7522096 0.77 SMN1; SMN2 (0.45) PTGS2KMT2ALMNASMN1; SMN2KDM4E
SCHEMBL7413111 0.76 GAA (0.56) PTGS2KMT2AMEN1LMNAKDM4E

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