Iodide

Iodide

SCHEMBL7763786

CC[n+]1c(C(=Cc2ccccc2)N(C)C)sc2ccccc21.[I-]

nearest known ligand 0.47

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 11/20 0.47
INSR P06213 4/20 0.45
APP P05067 1/20 0.44
KMT2A Q03164 5/20 0.43
HTT P42858 5/20 0.43
MEN1 O00255 4/20 0.43
THRB P10828 3/20 0.43
LMNA P02545 3/20 0.43
MMP14 P50281 1/20 0.43
ALDH1A1 P00352 8/20 0.42
CYP2D6 P10635 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX12 P18054 1/20 0.42
CYP2C19 P33261 1/20 0.42
CTNNB1 P35222 1/20 0.42
RAB9A P51151 6/20 0.41
NPC1 O15118 4/20 0.41
NPSR1 Q6W5P4 3/20 0.41

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 SCHEMBL7104941 0.89 MAPT (0.46) MAPTINSRAPPKMT2AHTT
Hydrochloric Acid SCHEMBL11528454 0.80 MAPT (0.47) MAPTINSRAPPKMT2AHTT
SCHEMBL14194559 0.77 MAPT (0.44) MAPTINSRAPPKMT2AHTT
Iodide SCHEMBL8072633 0.74 MEN1 (0.35) MAPTKMT2AHTTMEN1LMNA
SCHEMBL8745629 0.72 MEN1 (0.36) MAPTKMT2AHTTMEN1LMNA
Iodide SCHEMBL8745044 0.72 MEN1 (0.43) MAPTINSRAPPKMT2AHTT
SCHEMBL22189127 0.69 MAPT (0.48) MAPTINSRAPPKMT2AHTT
SCHEMBL8080557 0.68 MAPT (0.69) MAPTINSRAPPKMT2AHTT
SCHEMBL8080554 0.68 MAPT (0.69) MAPTINSRAPPKMT2AHTT
SCHEMBL13046317 0.68 MAPT (0.69) MAPTINSRAPPKMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708334-B1 Reagent and method for analyzing solid components in urine SYSMEX CORP (JP) 2001-05-23 EP disclosed
EP-0613003-B1 A reagent for detecting malaria infected cells and a detecting method for malaria infected cells using the same SYSMEX CORP (JP) 2000-04-26 EP disclosed
US-5891733-A COMPRISING A BUFFER AGENT, AN OSMOTIC PRESSURE COMPENSATING AGENT,A FIRST DYE WHICH IS A CONDENSED BENZENE DERIVATIVE, A SECOND FLUORESCENT DYE, AND A CHELATING AGENT TOA MEDICAL ELECTRONICS CO., LTD. (JP) 1999-04-06 US disclosed
EP-0708334-A2 Reagent and method for analyzing solid components in urine TOA MEDICAL ELECTRONICS CO., LTD. (JP) 1996-04-24 EP disclosed
US-5470751-A Reagent for detecting malaria infected cells and a detecting method for malaria infected cells using the same TOA MEDICAL ELECTRONICS CO., LTD. (JP) 1995-11-28 US disclosed
EP-0613003-A1 A reagent for detecting malaria infected cells and a detecting method for malaria infected cells using the same TOA MEDICAL ELECTRONICS CO., LTD. (JP) 1994-08-31 EP disclosed