Sugi Predict

Sugi Predict / Compounds / Iodide

Iodide

Iodide

SCHEMBL9306366

CCCCCCCCCCCCCCCCOc1ccc(CC(=O)NCc2cc[n+](C)cc2)cc1C(C)(C)C.[I-]

nearest known ligand 0.58

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 3)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 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
Iodide SCHEMBL9309300 1.00 THRA (0.45) THRATHRBNPSR1
Iodide SCHEMBL9307348 0.91 THRA (0.44) THRATHRBNPSR1
Iodide SCHEMBL9305809 0.91 THRA (0.44) THRATHRBNPSR1
Iodide SCHEMBL9308855 0.91 HSD17B10 (0.44) THRATHRBNPSR1
Iodide SCHEMBL9306978 0.91 HSD17B10 (0.44) THRATHRBNPSR1
Iodide SCHEMBL9307860 0.86 HSD17B10 (0.58) NPSR1
Iodide SCHEMBL9307109 0.86 S1PR2 (0.49) NPSR1
Iodide SCHEMBL9307010 0.86 HSD17B10 (0.58) NPSR1
Iodide SCHEMBL9306960 0.86 S1PR2 (0.49) NPSR1
Iodide SCHEMBL9306202 0.85 THRA (0.48) THRATHRB

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
US-5328921-A Antagonist of platelet activating factor AMERICAN CYANAMID COMPANY (US) 1994-07-12 — — US disclosed