Iodide

Iodide

SCHEMBL8929776

C=Cc1nc2ccccc2s1.I

nearest known ligand 0.54

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 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.54
RAB9A P51151 6/20 0.54
NPC1 O15118 4/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
CASP3 P42574 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
TDP1 Q9NUW8 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
APP P05067 1/20 0.47
INSR P06213 1/20 0.47
NCOA1 Q15788 1/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 2/20 0.47
ADRA2A P08913 1/20 0.47
FBP1 P09467 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
DRD2 P14416 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL719081 0.98 MAPT (0.56) MAPTRAB9ANPC1L3MBTL1CASP3
Hydrochloric Acid SCHEMBL9634629 0.96 MAPT (0.54) MAPTRAB9ANPC1L3MBTL1CASP3
Pyrene SCHEMBL28845423 0.89 MAPT (0.49) MAPTRAB9ANPC1L3MBTL1CASP3
SCHEMBL1306077 0.82 MAPT (0.49) MAPTRAB9ANPC1L3MBTL1CASP3
Nitrobenzene SCHEMBL28043005 0.81 MMP13 (0.56) MAPTRAB9ANPC1L3MBTL1CASP3
SCHEMBL6001350 0.79 MAPT (0.50) MAPTRAB9ANPC1L3MBTL1CASP3
SCHEMBL288476 0.79 MAPT (0.57) MAPTRAB9ANPC1L3MBTL1CASP3
SCHEMBL221982 0.78 PSMB8 (0.53) MAPTRAB9ANPC1L3MBTL1CASP3
SCHEMBL19844258 0.78 RAB9A (0.51) MAPTRAB9ANPC1L3MBTL1CASP3
SCHEMBL29954323 0.78 PSMB8 (0.53) MAPTRAB9ANPC1L3MBTL1CASP3

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
WO-1997026919-A2 METHOD OF IMAGING AMYLOID DEPOSITS WARNER-LAMBERT COMPANY (US) 1997-07-31 WO disclosed