Iodide

Iodide

SCHEMBL3941507

CCO[n+]1cccc(C)c1.[I-]

nearest known ligand 0.44

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 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 2/20 0.33
PABPC1 P11940 1/20 0.33
ATM Q13315 1/20 0.33
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
STAT3 P40763 1/20 0.32
HTT P42858 1/20 0.32
RAD52 P43351 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RCE1 Q9Y256 1/20 0.32
GGPS1 O95749 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL2326852 0.98 LMNA (0.35) LMNAL3MBTL1KMT2APABPC1ATM
SCHEMBL9622357 0.79 PABPC1 (0.36) LMNAL3MBTL1PABPC1MAPTRAD52
SCHEMBL9622709 0.78 PABPC1 (0.35) LMNAL3MBTL1PABPC1HTTKDM4E
SCHEMBL2320677 0.76 HDAC8 (0.47)
SCHEMBL2330418 0.76 HDAC8 (0.47) KMT2AGGPS1
SCHEMBL13865850 0.76 ALDH1A1 (0.32) KMT2APABPC1ATMHTTALDH1A1
SCHEMBL2320516 0.74 LMNA (0.42) LMNAL3MBTL1KMT2AMEN1HTT
SCHEMBL28331251 0.74 NQO1 (0.43) LMNAKMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL28093261 0.74 MAPK1 (0.32) KMT2APABPC1ATMMAPK1GGPS1
SCHEMBL2327067 0.74

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-2009011904-A1 COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2009-01-22 WO disclosed