Iodide

Iodide

SCHEMBL14778927

CN1CN(CCO)c2ccccc21.I

nearest known ligand 0.38

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 0.35
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ DRD2 P14416 2/20 0.35
▸ OPRM1 P35372 2/20 0.35
▸ DRD3 P35462 2/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ DRD1 P21728 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ ADRA1A P35348 1/20 0.35

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
SCHEMBL19411245 0.98 ALDH1A1 (0.39) ALDH1A1MAPTKDM4EGAAHPGD
Hydrochloric Acid SCHEMBL14778159 0.96 ALDH1A1 (0.38) ALDH1A1MAPTKDM4EGAAHPGD
Bromide SCHEMBL14777636 0.96 ALDH1A1 (0.38) ALDH1A1MAPTKDM4EGAAHPGD
Iodide SCHEMBL14777829 0.87 ALDH1A1 (0.35) ALDH1A1MAPTKDM4EGAAHPGD
Iodide SCHEMBL14778471 0.86 CES1 (0.36) ALDH1A1MAPTKDM4EGAAHPGD
Iodide SCHEMBL14779129 0.86 CES1 (0.36) ALDH1A1MAPTKDM4EGAAHPGD
Iodide SCHEMBL14778346 0.86 CES1 (0.36) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL10978011 0.86 DRD2 (0.40) ALDH1A1MAPTKDM4EDRD2OPRM1
Hydrochloric Acid SCHEMBL14777891 0.84 ALDH1A1 (0.35) ALDH1A1MAPTKDM4EGAAHPGD
Hydrochloric Acid SCHEMBL14778468 0.82 CES1 (0.36) ALDH1A1MAPTKDM4EGAAHPGD

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 CHRM1 2452/4885ALDH1A1 1764/4885MAPT 2543/4885

“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.

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