Iodide

Iodide

SCHEMBL4331724

CC[n+]1ccc(C)c(C)c1.[I-]

nearest known ligand 0.48

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
▸ CHRNA7 P36544 4/20 0.48
▸ CHRNA10 Q9GZZ6 4/20 0.48
▸ CHRNA9 Q9UGM1 4/20 0.48
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ GRIN1 Q05586 1/20 0.38
▸ GRIN2A Q12879 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ HTT P42858 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PKM P14618 1/20 0.33
▸ APOBEC3A P31941 1/20 0.33
▸ APOBEC3G Q9HC16 1/20 0.33
▸ MEN1 O00255 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31

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
SCHEMBL5295848 0.98 CHRNA7 (0.50) CHRNA7CHRNA10CHRNA9MAOAMAOB
SCHEMBL5305181 0.79 CHRNA7 (0.56) CHRNA7CHRNA10CHRNA9MAOAMAOB
SCHEMBL562670 0.76 CHRNA7 (0.62) CHRNA7CHRNA10CHRNA9HTTKDM4E
SCHEMBL19601077 0.76 CHRNA7 (0.37) CHRNA7CHRNA10CHRNA9MAOAMAOB
Water SCHEMBL31247957 0.74 CHRNA7 (0.67) CHRNA7CHRNA10CHRNA9HTT
SCHEMBL12533275 0.74 CHRNA7 (0.67) CHRNA7CHRNA10CHRNA9HTT
Bromide SCHEMBL26093356 0.74 CHRNA7 (0.67) CHRNA7CHRNA10CHRNA9HTT
Bromide SCHEMBL26093360 0.74 CHRNA7 (0.70) CHRNA7CHRNA10CHRNA9
SCHEMBL4404023 0.74 CHRNA7 (0.67) CHRNA7CHRNA10CHRNA9HTT
Hydrochloric Acid SCHEMBL1533941 0.74 CHRNA7 (0.61) CHRNA7CHRNA10CHRNA9HTTKDM4E

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-7629491-B2 Hydrocarboxylation process EASTMAN CHEMICAL COMPANY (US) 2009-12-08 — — US disclosed
US-20070299280-A1 forming propionic acid from ethylene, water and carbon monoxide; not using the hazardous and corrosive hydrogen halides or sulfonic acids; free of hydrogen iodide and/or ethyl iodide; no diethyl ketone by-products EASTMAN CHEMICAL COMPANY (US) 2007-12-27 — — 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-20070299280-A1 forming propionic acid from ethylene, water and carbon monoxide; not using the hazardous and corrosive hydrogen halides or sulfonic acids; free of hydrogen iodide and/or ethyl iodide; no diethyl ketone by-products ETV6, ETV1, HAO2 CHRNA7 1087/4885CHRNA10 2517/4885CHRNA9 2079/4885

“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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