Sugi Predict

Sugi Predict / Compounds / Iodide

Iodide

Iodide

SCHEMBL6560159

CC[n+]1ccc(C=Cc2ccc(O)cc2)c2ccccc21.[I-]

nearest known ligand 0.73

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 0.46
▸ KMT2A Q03164 6/20 0.73
▸ HTT P42858 4/20 0.73
▸ POLB P06746 4/20 0.73
▸ MEN1 O00255 4/20 0.73
▸ RAD52 P43351 3/20 0.73
▸ MAPT P10636 3/20 0.73
▸ PKM P14618 3/20 0.73
▸ NPSR1 Q6W5P4 3/20 0.73
▸ NPC1 O15118 3/20 0.73
▸ RAB9A P51151 3/20 0.73
▸ ALDH1A1 P00352 2/20 0.73
▸ LMNA P02545 2/20 0.73
▸ MAPK1 P28482 2/20 0.73
▸ NSD2 O96028 2/20 0.73
▸ L3MBTL1 Q9Y468 2/20 0.73
▸ KDM4E B2RXH2 1/20 0.73
▸ THRB P10828 1/20 0.73
▸ PPARG P37231 1/20 0.73
▸ RECQL P46063 1/20 0.73

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
Iodide SCHEMBL6858988 1.00 KMT2A (0.73) KMT2AHTTPOLBMEN1RAD52
SCHEMBL29053033 0.87 MEN1 (0.73) KMT2AHTTPOLBMEN1RAD52
SCHEMBL9455035 0.85 MEN1 (0.70) KMT2AHTTPOLBMEN1RAD52
SCHEMBL9455038 0.85 MEN1 (0.70) KMT2AHTTPOLBMEN1RAD52
Iodide SCHEMBL11803644 0.84 MEN1 (1.00) KMT2AHTTPOLBMEN1RAD52
SCHEMBL17753379 0.84 KDM4E (0.53) KMT2AHTTPOLBMEN1RAD52
SCHEMBL13428296 0.83 MEN1 (0.97) KMT2AHTTPOLBMEN1RAD52
SCHEMBL10036010 0.83 MEN1 (0.97) KMT2AHTTPOLBMEN1RAD52
SCHEMBL16178080 0.83 RAD52 (0.67) KMT2AHTTPOLBMEN1RAD52
SCHEMBL16178079 0.83 RAD52 (0.67) KMT2AHTTPOLBMEN1RAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6790239-B1 COMBINATION OF AROMATIC ALDEHYDES OR KETONES AND CH-ACTIVE COMPOUNDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-09-14 — — US claimed
EP-1432394-A1 AGENT FOR COLORING KERATIN FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2004-06-30 — — EP claimed
WO-2003030846-A1 AGENT FOR COLORING KERATIN FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 — — WO claimed
EP-1235549-A1 AGENT FOR COLOURING KERATIN CONTAINING FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 2002-09-04 — — EP claimed
WO-2001034106-A1 AGENT FOR COLOURING KERATIN CONTAINING FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-05-17 — — WO claimed
US-6790239-B1 COMBINATION OF AROMATIC ALDEHYDES OR KETONES AND CH-ACTIVE COMPOUNDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-09-14 — — US disclosed
EP-1432394-A1 AGENT FOR COLORING KERATIN FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2004-06-30 — — EP disclosed
WO-2003030846-A1 AGENT FOR COLORING KERATIN FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 — — WO disclosed
EP-1235549-A1 AGENT FOR COLOURING KERATIN CONTAINING FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 2002-09-04 — — EP disclosed
WO-2001034106-A1 AGENT FOR COLOURING KERATIN CONTAINING FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-05-17 — — WO disclosed