Sugi Predict

Sugi Predict / Compounds / Iodide

Iodide

Iodide

SCHEMBL6561111

CC[n+]1c(C=Cc2ccc(O)cc2)ccc2ccccc21.[I-]

nearest known ligand 0.72

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 12/20 0.68
▸ KMT2A Q03164 8/20 0.72
▸ POLB P06746 6/20 0.72
▸ MEN1 O00255 6/20 0.72
▸ RAB9A P51151 4/20 0.72
▸ HTT P42858 3/20 0.72
▸ BLM P54132 3/20 0.72
▸ LMNA P02545 2/20 0.72
▸ SMN1; SMN2 Q16637 2/20 0.72
▸ NPSR1 Q6W5P4 2/20 0.72
▸ ALDH1A1 P00352 1/20 0.72
▸ PPARG P37231 1/20 0.72
▸ NCOA2 Q15596 1/20 0.72
▸ NCOA1 Q15788 1/20 0.72
▸ L3MBTL1 Q9Y468 1/20 0.72
▸ BCHE P06276 3/20 0.51
▸ NPC1 O15118 3/20 0.48
▸ NSD2 O96028 1/20 0.48
▸ S100A4 P26447 1/20 0.48
▸ NOD2 Q9HC29 1/20 0.48

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 SCHEMBL6858957 1.00 KMT2A (0.72) KMT2APOLBMEN1RAB9AHTT
Perchlorate SCHEMBL4885133 0.93 KMT2A (0.64) KMT2APOLBMEN1RAB9AHTT
Perchlorate SCHEMBL4885123 0.93 KMT2A (0.64) KMT2APOLBMEN1RAB9AHTT
Iodide SCHEMBL11797343 0.88 KMT2A (0.75) KMT2APOLBMEN1RAB9AHTT
SCHEMBL9589439 0.84 KMT2A (0.70) KMT2APOLBMEN1RAB9AHTT
SCHEMBL9589447 0.84 KMT2A (0.70) KMT2APOLBMEN1RAB9AHTT
SCHEMBL29620206 0.84 KMT2A (0.70) KMT2APOLBMEN1RAB9AHTT
Iodide SCHEMBL124472 0.84 KMT2A (1.00) KMT2APOLBMEN1RAB9AHTT
Iodide SCHEMBL29473159 0.84 KMT2A (1.00) KMT2APOLBMEN1RAB9AHTT
SCHEMBL12866129 0.84 KMT2A (0.65) KMT2APOLBMEN1RAB9AHTT

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