Iodide

Iodide

SCHEMBL14777828

C[n+]1cn(CCCCO)c2ccccc21.[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
ACHE known ✓ P22303 1/20 0.33
ALDH1A1 P00352 2/20 0.47
APAF1 O14727 1/20 0.47
RAD52 P43351 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RGS12 O14924 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
KMT2A Q03164 2/20 0.45
XDH P47989 1/20 0.43
ALOX15 P16050 2/20 0.40
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
MAPT P10636 1/20 0.39
XBP1 P17861 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RCE1 Q9Y256 1/20 0.39

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 SCHEMBL14778470 0.98 ALDH1A1 (0.49) ALDH1A1APAF1RAD52NPSR1RGS12
Iodide SCHEMBL14779128 0.98 ALDH1A1 (0.49) ALDH1A1APAF1RAD52NPSR1RGS12
Iodide SCHEMBL14778344 0.98 ALDH1A1 (0.49) ALDH1A1APAF1RAD52NPSR1RGS12
Hydrochloric Acid SCHEMBL14777890 0.97 ALDH1A1 (0.50) ALDH1A1APAF1RAD52NPSR1RGS12
Bromide SCHEMBL14779145 0.95 ALDH1A1 (0.49) ALDH1A1APAF1RAD52NPSR1RGS12
Hydrochloric Acid SCHEMBL14778467 0.95 ALDH1A1 (0.52) ALDH1A1APAF1RAD52NPSR1RGS12
Hydrochloric Acid SCHEMBL14777818 0.95 ALDH1A1 (0.52) ALDH1A1APAF1RAD52NPSR1RGS12
SCHEMBL13227444 0.90 ALDH1A1 (0.54) ALDH1A1APAF1RAD52NPSR1RGS12
Iodide SCHEMBL14778925 0.89 XDH (0.52) ALDH1A1APAF1RAD52NPSR1RGS12
Bromide SCHEMBL14777635 0.85 XDH (0.52) ALDH1A1APAF1RAD52NPSR1RGS12

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-8658842-B2 Process for producing ethylene glycol catalyzed by ionic liquid INSTITUTE OF PROCESS ENGINEERING, CHINESE ACADEMY OF SCIENCES (CN) 2014-02-25 US disclosed
US-20130072727-A1 PROCESS FOR PRODUCING ETHYLENE GLYCOL CATALYZED BY IONIC LIQUID INSTITUTE OF PROCESS ENGINEERING, CHINESE ACADEMY OF SCIENCES (CN) 2013-03-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130072727-A1 PROCESS FOR PRODUCING ETHYLENE GLYCOL CATALYZED BY IONIC LIQUID AGL, ALKBH3, ELL ACHE 3247/4885ALDH1A1 1764/4885APAF1 3785/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.