Iodide

Iodide

SCHEMBL810561

C=Cc1[nH]cc[n+]1CCCCCCCC.[I-]

nearest known ligand 0.41

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 2/20 0.35
ACHE known ✓ P22303 2/20 0.35
CHRM3 known ✓ P20309 1/20 0.34
HTT P42858 6/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
KMT2A Q03164 5/20 0.41
KDM4E B2RXH2 4/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
MEN1 O00255 4/20 0.41
LMNA P02545 3/20 0.41
RAD52 P43351 3/20 0.41
MAPK1 P28482 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HSP90AA1 P07900 2/20 0.41
RGS12 O14924 1/20 0.41
USP2 O75604 1/20 0.41
THRB P10828 1/20 0.41
MCL1 Q07820 1/20 0.41
TP53 P04637 1/20 0.38

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
SCHEMBL15657208 0.98 KMT2A (0.39) HTTSMN1; SMN2KMT2AKDM4ENPC1
SCHEMBL9067234 0.98 KMT2A (0.39) HTTSMN1; SMN2KMT2AKDM4ENPC1
Bromide SCHEMBL3418571 0.97 HTT (0.38) HTTSMN1; SMN2KMT2AKDM4ENPC1
Hydrochloric Acid SCHEMBL3419607 0.97 SMN1; SMN2 (0.38) HTTSMN1; SMN2KMT2AKDM4ENPC1
Bromide SCHEMBL3419365 0.97 HTT (0.38) HTTSMN1; SMN2KMT2AKDM4ENPC1
Hydrochloric Acid SCHEMBL8415719 0.97 SMN1; SMN2 (0.38) HTTSMN1; SMN2KMT2AKDM4ENPC1
SCHEMBL29390 0.91 ALDH1A1 (0.32) HTTSMN1; SMN2KMT2AKDM4ENPC1
Bromide SCHEMBL12500813 0.90 ALDH1A1 (0.31) ALDH1A1CA1CA2TSHR
Hydrochloric Acid SCHEMBL29697222 0.90 ALDH1A1 (0.31) ALDH1A1CA1CA2TSHR
Sulfuric Acid SCHEMBL30240028 0.83

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
US-9345811-B2 Medical antimicrobial composition and medical device comprising the same TORAY INDUSTRIES, INC. (JP) 2016-05-24 US disclosed
EP-2275154-B1 ANTIBACTERIAL COMPOSITION FOR MEDICAL USE AND MEDICAL DEVICE TORAY INDUSTRIES (JP) 2015-07-01 EP disclosed
US-20140120146-A1 MEDICAL ANTIMICROBIAL COMPOSITION AND MEDICAL DEVICE COMPRISING THE SAME TORAY INDUSTRIES, INC. (JP) 2014-05-01 US disclosed
US-8652499-B2 Medical antimicrobial composition and medical device comprising the same TORAY INDUSTRIES, INC. (JP) 2014-02-18 US disclosed
EP-2275154-A1 ANTIBACTERIAL COMPOSITION FOR MEDICAL USE AND MEDICAL DEVICE Toray Industries, Inc. (JP) 2011-01-19 EP disclosed
US-20110008403-A1 MEDICAL ANTIMICROBIAL COMPOSITION AND MEDICAL DEVICE COMPRISING THE SAME TORAY INDUSTRIES, INC. (JP) 2011-01-13 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-20110008403-A1 MEDICAL ANTIMICROBIAL COMPOSITION AND MEDICAL DEVICE COMPRISING THE SAME AAAS, MMS19, MSN CHRM1 4443/4885ACHE 2781/4885CHRM3 4135/4885

“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.