Iodide

Iodide

SCHEMBL8734869

I.O=S(=O)(Oc1ccccc1-c1ccccc1C1CCCCC1)C(F)(F)F

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG

The experimentally established mechanism targets of Iodide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.51
DRD4 P21917 10/20 0.51
DRD3 P35462 10/20 0.51
DRD1 P21728 8/20 0.51
DRD5 P21918 8/20 0.51
PTGS2 P35354 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.43
HTR5A P47898 1/20 0.39
PTPN5 P54829 2/20 0.37
PTPN2 P17706 1/20 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
SCHEMBL9956909 0.88 DRD2 (0.62) DRD2DRD4DRD3DRD1DRD5
SCHEMBL4096013 0.86 DRD2 (0.64) DRD2DRD4DRD3DRD1DRD5
SCHEMBL23467151 0.81 DRD2 (0.50) DRD2DRD4DRD3DRD1DRD5
SCHEMBL16926997 0.81 DRD2 (0.41) DRD2DRD4DRD3DRD1DRD5
Hydrogen Sulfide SCHEMBL29924299 0.80 DRD2 (0.49) DRD2DRD4DRD3DRD1DRD5
SCHEMBL22444937 0.80 DRD2 (0.60) DRD2DRD4DRD3DRD1DRD5
SCHEMBL7023211 0.80 DRD2 (0.42) DRD2DRD4DRD3DRD1DRD5
SCHEMBL28166225 0.75 PTGS2 (0.41) DRD2DRD4DRD3DRD1DRD5
SCHEMBL367003 0.75 DRD2 (0.42) DRD2DRD4DRD3DRD1DRD5
SCHEMBL10182018 0.75 DRD3 (0.52) DRD2DRD4DRD3DRD1DRD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0697387-B1 Improved method for the preparation of iodonium salts DOW CORNING (US) 1998-04-22 EP disclosed