Iodide

Iodide

SCHEMBL31301133

C=CC(=O)NCCCCC[N+](C)(C)C.[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 2/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.62
ZDHHC2 Q9UIJ5 1/20 0.62
KMT2A Q03164 5/20 0.44
ATM Q13315 1/20 0.44
TGM2 P21980 2/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
MEN1 O00255 4/20 0.39
APEX1 P27695 3/20 0.39
KDM4E B2RXH2 3/20 0.39
NFKB1 P19838 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PMP22 Q01453 2/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 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
SCHEMBL5157529 0.98 ZDHHC20 (0.65) ZDHHC20ZDHHC2KMT2AATMTGM2
Hydrochloric Acid SCHEMBL31301131 0.96 ZDHHC20 (0.62) ZDHHC20ZDHHC2KMT2AATMTGM2
Bromide SCHEMBL31301132 0.96 ZDHHC20 (0.62) ZDHHC20ZDHHC2KMT2AATMTGM2
Hydrochloric Acid SCHEMBL20528844 0.96 ZDHHC20 (0.62) ZDHHC20ZDHHC2KMT2AATMTGM2
SCHEMBL18331491 0.96 ZDHHC20 (0.61) ZDHHC20ZDHHC2KMT2AATMTGM2
Bromide SCHEMBL6116865 0.95 ZDHHC20 (0.59) ZDHHC20ZDHHC2KMT2AATMTGM2
Hydrochloric Acid SCHEMBL3120286 0.95 ZDHHC20 (0.59) ZDHHC20ZDHHC2KMT2AATMTGM2
Iodide SCHEMBL2254575 0.93 ZDHHC20 (0.56) ZDHHC20ZDHHC2KMT2AATMTGM2
SCHEMBL192702 0.91 ZDHHC20 (0.58) ZDHHC20ZDHHC2KMT2AATMTGM2
Iodide SCHEMBL17105877 0.89 ZDHHC20 (0.56) ZDHHC20ZDHHC2KMT2AATMTGM2

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
WO-2024254965-A1 POLYELECTROLYTE GEL, PREPARATION METHOD THEREFOR AND USE THEREOF 清华大学 2024-12-19 WO claimed
WO-2024254965-A1 POLYELECTROLYTE GEL, PREPARATION METHOD THEREFOR AND USE THEREOF 清华大学 2024-12-19 WO disclosed