Potassium Ion

Potassium Ion

SCHEMBL10883779

C[C@]12CCC(=O)C=C1C=C[C@@H]1[C@@H]2C=C[C@@]2(C)[C@H]1CC[C@@]2(O)CCC(=O)[O-].[K+]

nearest known ligand 0.70

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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
▸ PGR P06401 4/20 0.70
▸ TDP1 Q9NUW8 3/20 0.70
▸ NR3C1 P04150 2/20 0.70
▸ LMNA P02545 1/20 0.70
▸ PDE4D Q08499 1/20 0.70
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ CYP19A1 P11511 7/20 0.45
▸ CYP3A4 P08684 2/20 0.44
▸ AR P10275 2/20 0.44
▸ CHRM1 P11229 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ TBXA2R P21731 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ CHRM2 P08172 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ PMP22 Q01453 1/20 0.33
▸ HIF1A Q16665 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
Potassium Ion SCHEMBL10945748 1.00 PGR (0.70) PGRTDP1NR3C1LMNAPDE4D
Potassium Ion SCHEMBL10883783 1.00 PGR (0.70) PGRTDP1NR3C1LMNAPDE4D
SCHEMBL6707070 0.91 PGR (0.57) PGRTDP1NR3C1LMNAPDE4D
SCHEMBL6707066 0.91 PGR (0.57) PGRTDP1NR3C1LMNAPDE4D
SCHEMBL7793508 0.84 PGR (0.50) PGRTDP1NR3C1LMNAPDE4D
Potassium Ion SCHEMBL10886695 0.83 TDP1 (0.52) PGRTDP1NR3C1LMNAPDE4D
Potassium Ion SCHEMBL10943952 0.83 TDP1 (0.52) PGRTDP1NR3C1LMNAPDE4D
Potassium Ion SCHEMBL10886690 0.83 TDP1 (0.52) PGRTDP1NR3C1LMNAPDE4D
Canrenoate SCHEMBL124160 0.83 PGR (1.00) PGRTDP1NR3C1LMNAPDE4D
Canrenoate SCHEMBL49729 0.83 PGR (1.00) PGRTDP1NR3C1LMNAPDE4D

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-0115273-B1 ALDOSTERONE-ANTAGONISTIC STEROIDS SHIONOGI & CO., LTD. (JP) 1986-11-20 — — EP claimed
US-4502989-A HYPOTENSIVE, ANTIEDEMIC SHIONOGI & CO., LTD. (JP) 1985-03-05 — — US claimed
EP-0115273-A2 Aldosterone-antagonistic steroids SHIONOGI & CO., LTD. (JP) 1984-08-08 — — EP claimed
EP-0115273-B1 ALDOSTERONE-ANTAGONISTIC STEROIDS SHIONOGI & CO., LTD. (JP) 1986-11-20 — — EP disclosed
US-4502989-A HYPOTENSIVE, ANTIEDEMIC SHIONOGI & CO., LTD. (JP) 1985-03-05 — — US disclosed
EP-0115273-A2 Aldosterone-antagonistic steroids SHIONOGI & CO., LTD. (JP) 1984-08-08 — — EP disclosed
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