Sugi Predict

Sugi Predict / Compounds / Iodide

Iodide

Iodide

SCHEMBL4618850

I.Nc1nc2c(s1)Cc1cc(-c3cccc([N+](=O)[O-])c3)ccc1-2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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 2)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 19/20 1.00
▸ FBP1 P09467 1/20 0.52

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
SCHEMBL13943073 0.83 ADORA1 (0.70) ADORA1
Iodide SCHEMBL3990143 0.82 ADORA1 (0.78) ADORA1
Iodide SCHEMBL3989097 0.80 ADORA1 (0.66) ADORA1FBP1
Iodide SCHEMBL4594378 0.77 ADORA1 (1.00) ADORA1
Iodide SCHEMBL3994778 0.75 ADORA1 (0.84) ADORA1
Iodide SCHEMBL3994666 0.75 ADORA1 (1.00) ADORA1
Iodide SCHEMBL3991310 0.74 ADORA1 (0.72) ADORA1
SCHEMBL11326282 0.74 MYC (0.65) ADORA1
Iodide SCHEMBL3994608 0.74 ADORA1 (0.74) ADORA1
Bromide SCHEMBL7143173 0.73 MYC (0.61) ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583530-A4 2-AMINOTHIAZOLE ALLOSTERIC ENHANCERS OF A1-ADENOSINE RECEPTORS UNIV VIRGINIA (US) 2008-07-23 — — EP disclosed
EP-1583530-A1 2-AMINOTHIAZOLE ALLOSTERIC ENHANCERS OF A1-ADENOSINE RECEPTORS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2005-10-12 — — EP disclosed
WO-2003061655-A1 2-AMINOTHIAZOLE ALLOSTERIC ENHANCERS OF A1 ADENOSINE RECEPTORS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2003-07-31 — — WO disclosed