Iodide

Iodide

SCHEMBL7758713

CN(C)c1ccc(/C=C/C2=[N+](C)c3ccccc3C2(C)C)cc1.[I-]

nearest known ligand 0.62

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
ACHE known ✓ P22303 1/20 0.44
MAPT P10636 9/20 0.62
APP P05067 4/20 0.62
MEN1 O00255 9/20 0.49
KMT2A Q03164 9/20 0.49
LMNA P02545 5/20 0.49
HTT P42858 5/20 0.49
THRB P10828 4/20 0.49
ALDH1A1 P00352 4/20 0.49
VDR P11473 4/20 0.49
RECQL P46063 3/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
RELA Q04206 1/20 0.49
NPSR1 Q6W5P4 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
ALPG P10696 2/20 0.48
GFER P55789 2/20 0.48
MMP14 P50281 1/20 0.47
INSR P06213 1/20 0.45
NPC1 O15118 5/20 0.44

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 SCHEMBL7758714 1.00 MAPT (0.62) MAPTAPPMEN1KMT2ALMNA
SCHEMBL13245094 0.99 MAPT (0.62) MAPTAPPMEN1KMT2ALMNA
SCHEMBL10035982 0.99 MAPT (0.62) MAPTAPPMEN1KMT2ALMNA
SCHEMBL1405400 0.91 APP (0.53) MAPTAPPMEN1KMT2ALMNA
SCHEMBL1405401 0.91 APP (0.53) MAPTAPPMEN1KMT2ALMNA
SCHEMBL25664248 0.89 MAPT (0.72) MAPTAPPMEN1KMT2ALMNA
Iodide SCHEMBL28090457 0.88 MAPT (0.61) MAPTAPPMEN1KMT2ALMNA
SCHEMBL6128356 0.86 MAPT (0.60) MAPTAPPMEN1KMT2ALMNA
Perchlorate SCHEMBL1532815 0.86 KMT2A (0.54) MAPTAPPMEN1KMT2ALMNA
Perchlorate SCHEMBL29959735 0.86 KMT2A (0.54) MAPTAPPMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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