Sugi Predict

Sugi Predict / Compounds / Iodide

Iodide

Iodide

SCHEMBL9307302

CCCCCCCCCCCCCCOc1ccc(C(=O)NCc2cccc[n+]2CCC)cc1C(C)(C)C.[I-]

nearest known ligand 0.56

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 0.49
▸ THRB P10828 1/20 0.49
▸ SMPD1 P17405 5/20 0.44

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 SCHEMBL9306857 1.00 THRA (0.49) THRATHRBSMPD1
Iodide SCHEMBL9308437 0.94 THRA (0.50) THRATHRBSMPD1
Iodide SCHEMBL9306796 0.89 THRA (0.51) THRATHRBSMPD1
Iodide SCHEMBL9306235 0.89 THRA (0.51) THRATHRBSMPD1
Iodide SCHEMBL9305971 0.88 POLB (0.50) THRATHRBSMPD1
Iodide SCHEMBL9307001 0.88 SMPD1 (0.54) SMPD1
Iodide SCHEMBL9307938 0.88 SMPD1 (0.54) SMPD1
Iodide SCHEMBL9307876 0.88 POLB (0.50) THRATHRBSMPD1
Iodide SCHEMBL9306603 0.88 SMPD1 (0.54) SMPD1
Iodide SCHEMBL9307470 0.85 NPSR1 (0.42) 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