Iodide

Iodide

SCHEMBL3900318

C1=Cc2nc3ccccc3cc2C1.I

nearest known ligand 0.45

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 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 4/20 0.45
MAPT P10636 3/20 0.45
GLA P06280 3/20 0.45
KMT2A Q03164 5/20 0.42
KDM4E B2RXH2 4/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 2/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
PKM P14618 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL5177973 0.98 ALDH1A1 (0.46) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL20745916 0.86 MAPT (0.42) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL3902322 0.82 TLR8 (0.34) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL409559 0.80 ALDH1A1 (0.43) ALDH1A1HPGDMAPTGLAACHE
Hydrochloric Acid SCHEMBL8134377 0.79 ALDH1A1 (0.42) ALDH1A1HPGDMAPTGLAACHE
Hydrochloric Acid SCHEMBL30274776 0.79 ALDH1A1 (0.42) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL22654195 0.75 ALDH1A1 (0.39) ALDH1A1MAPTKMT2AKDM4ENPC1
SCHEMBL11519732 0.74 NPC1 (0.44) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL19291 0.74 NPC1 (0.44) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL30906155 0.74 ALDH1A1 (0.41) ALDH1A1HPGDMAPTGLAACHE

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-7531008-B2 Use of at least one cationic cyanin derivative for dyeing the hair, composition containing it, process for treating keratin fibers using the composition, and device therefor L'OREAL S.A. (FR) 2009-05-12 US disclosed
US-20070143936-A1 Use of at least one cationic cyanin derivative for dyeing the hair, composition containing it, process for treating keratin fibers using the composition, and device therefor L'OREAL S.A. (FR) 2007-06-28 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-20070143936-A1 Use of at least one cationic cyanin derivative for dyeing the hair, composition containing it, process for treating keratin fibers using the composition, and device therefor KRT18, HKDC1, DSC1 ACHE 1285/4885ALDH1A1 1639/4885HPGD 1098/4885

“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.