Iodide

Iodide

SCHEMBL413901

CCCCCC[n+]1ccn(CCC)c1.[I-]

nearest known ligand 0.53

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
CHRM1 known ✓ P11229 1/20 0.46
ACHE known ✓ P22303 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.53
MEN1 O00255 2/20 0.53
HSP90AA1 P07900 2/20 0.53
KMT2A Q03164 2/20 0.53
NPC1 O15118 2/20 0.50
HTT P42858 2/20 0.50
RAB9A P51151 2/20 0.50
APAF1 O14727 1/20 0.50
PLA2G1B P04054 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ATG4B Q9Y4P1 1/20 0.50
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
ABCB11 O95342 1/20 0.46
ESR1 P03372 1/20 0.46
PGR P06401 1/20 0.46

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 SCHEMBL11536415 1.00 SMN1; SMN2 (0.53) SMN1; SMN2MEN1HSP90AA1KMT2ANPC1
SCHEMBL5292001 0.98 MEN1 (0.54) SMN1; SMN2MEN1HSP90AA1KMT2ANPC1
SCHEMBL961145 0.98 MEN1 (0.54) SMN1; SMN2MEN1HSP90AA1KMT2ANPC1
SCHEMBL5289993 0.98 MEN1 (0.54) SMN1; SMN2MEN1HSP90AA1KMT2ANPC1
SCHEMBL5291547 0.98 MEN1 (0.54) SMN1; SMN2MEN1HSP90AA1KMT2ANPC1
SCHEMBL5286003 0.98 MEN1 (0.54) SMN1; SMN2MEN1HSP90AA1KMT2ANPC1
SCHEMBL5288554 0.98 MEN1 (0.54) SMN1; SMN2MEN1HSP90AA1KMT2ANPC1
SCHEMBL5301568 0.98 MEN1 (0.54) SMN1; SMN2MEN1HSP90AA1KMT2ANPC1
SCHEMBL5298507 0.98 MEN1 (0.54) SMN1; SMN2MEN1HSP90AA1KMT2ANPC1
SCHEMBL5290111 0.98 MEN1 (0.54) SMN1; SMN2MEN1HSP90AA1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8758639-B2 Electrolyte composition with a low gelling temperature and method for manufacturing electronic device using the same NATIONAL CHENG KUNG UNIVERSITY (TW) 2014-06-24 US disclosed
US-20120018077-A1 Electrolyte composition with a low gelling temperature and method for manufacturing electronic device using the same NATIONAL CHENG KUNG UNIVERSITY (TW) 2012-01-26 US disclosed