Iodide

Iodide

SCHEMBL28977654

C=Cc1ccc(CN2C=CN(C)C2)cc1.I

nearest known ligand 0.37

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 17)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ MAPT P10636 5/20 0.36
▸ TP53 P04637 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ POLB P06746 1/20 0.33
▸ XDH P47989 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.32
▸ F2R P25116 1/20 0.32
▸ PSMD14 O00487 1/20 0.32
▸ MAPK1 P28482 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ THRB P10828 1/20 0.30
▸ PKM P14618 1/20 0.30

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
SCHEMBL1628529 0.98 CA1 (0.38) CA1CA2MAPTTP53LMNA
Hydrochloric Acid SCHEMBL2939456 0.97 CA1 (0.37) CA1CA2MAPTTP53LMNA
SCHEMBL28568820 0.92 MAPT (0.37) CA1CA2MAPTTP53LMNA
SCHEMBL19362304 0.86 ALDH1A1 (0.44) CA1CA2MAPTTP53LMNA
SCHEMBL15803245 0.84 HRH3 (0.34) CA2MAPTTP53LMNAALDH1A1
SCHEMBL28977630 0.82 MAPT (0.34) CA1CA2MAPTTP53LMNA
SCHEMBL28014802 0.82 CA1 (0.38) CA1CA2MAPTTP53LMNA
Hydrochloric Acid SCHEMBL30286340 0.81 MAPT (0.36) CA1CA2MAPTTP53LMNA
Bromide SCHEMBL28376642 0.81 CA1 (0.37) CA1CA2MAPTTP53LMNA
Hydrochloric Acid SCHEMBL28707646 0.81 CA1 (0.37) CA1CA2MAPTTP53LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115867586-A Electrochemically debondable adhesive compositions 汉高股份有限及两合公司 2023-03-28 — — CN disclosed
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