Iodide

Iodide

SCHEMBL7644264

C[n+]1ccccc1C=Cc1ccc(N2CCCC2)cc1.[I-]

nearest known ligand 0.57

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 18)

geneUniProtsupporting neighboursconfidence
▸ ACHE known ✓ P22303 3/20 0.50
▸ RAB9A P51151 3/20 0.55
▸ SNCA P37840 1/20 0.54
▸ PABPC1 P11940 2/20 0.54
▸ EIF4H Q15056 1/20 0.54
▸ MAPT P10636 5/20 0.53
▸ APP P05067 2/20 0.53
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ APOBEC3A P31941 2/20 0.47
▸ APOBEC3G Q9HC16 2/20 0.47
▸ PTGS2 P35354 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CTDSP1 Q9GZU7 1/20 0.44
▸ TRIM24 O15164 1/20 0.44
▸ TRIM33 Q9UPN9 1/20 0.44

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
SCHEMBL14536918 0.83 SNCA (0.54) SNCAMAPTAPPACHEMEN1
Iodide SCHEMBL17870555 0.83 SNCA (0.53) RAB9ASNCAMAPTAPPACHE
Iodide SCHEMBL17870554 0.83 SNCA (0.53) RAB9ASNCAMAPTAPPACHE
Hydrochloric Acid SCHEMBL712985 0.82 SNCA (0.53) SNCAMAPTAPPACHEMEN1
Hydrochloric Acid SCHEMBL3451810 0.82 SNCA (0.53) SNCAMAPTAPPACHEMEN1
SCHEMBL16183105 0.81 PTGS2 (0.53) RAB9ASNCAMAPTAPPACHE
SCHEMBL12601614 0.80 RAB9A (0.44) RAB9ASNCAPABPC1EIF4HMAPT
SCHEMBL14393752 0.80 ACHE (0.46) RAB9ASNCAPABPC1EIF4HMAPT
Iodide SCHEMBL8910694 0.79 CHAT (0.64) RAB9APABPC1EIF4HMAPTACHE
Iodide SCHEMBL7644259 0.78 CHAT (0.47) RAB9ASNCAPABPC1EIF4HMAPT

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-6395556-B1 DETECTING THE PRESENCE/CONCENTRATION OF AN ANALYTE; USING FLUORESCENT REFERENCE MOLECULES AND EXPOSE A SAMPLE TO THE REFERENCE MOLECULE; MEASURE INTENSITY CHANGES BY DETERMINING POLARIZATION AXES AFTER EXPOSURE TO A RADIATION SOURCE LAKOWICZ JOSEPH R (US) 2002-05-28 — — US disclosed
WO-2000028307-A1 POLARIZATION BASED SENSING UNIVERSITY OF MARYLAND, BALTIMORE (US) 2000-05-18 — — WO disclosed
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