Iodide

Iodide

SCHEMBL9636643

C[N+](C)(C)CC(O)C(=O)c1cccc(O)c1O.[I-]

nearest known ligand 0.41

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
TERT O14746 2/20 0.41
ALOX5 P09917 2/20 0.41
IAPP P10997 6/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
KMT2A Q03164 2/20 0.34
GMNN O75496 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
BLM P54132 1/20 0.34

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
SCHEMBL10339057 0.87 HPGD (0.44) CA12CA1CA2CA7CA9
SCHEMBL11022263 0.78 LIG1 (0.49) CA12CA1CA2CA7CA9
SCHEMBL11023732 0.77 NPC1 (0.40) CA12CA1CA2CA9KDM4E
SCHEMBL4624134 0.76 SLC6A2 (0.42) MEN1HPGDKMT2AMAPK1
SCHEMBL15981547 0.72 TERT (0.46) TERTALOX5IAPPCA12CA1
SCHEMBL8996014 0.72 CTSD (0.49) CA12CA1CA2CA9ALDH1A1
Iodide SCHEMBL8995949 0.72 HSD11B1 (0.41) KDM4EMEN1ALDH1A1KMT2ALMNA
Iodide SCHEMBL2353850 0.71 MDM2 (0.47) CA12CA1CA2CA7CA9
Iodide SCHEMBL11214733 0.70 LMNA (0.42) CA12CA1CA2CA7CA9
Iodide SCHEMBL9636197 0.70 KDM4E (0.54) TERTCA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0241915-B1 METHOD FOR DETERMINING CHOLINESTERASE ACTIVITY NITTO BOSEKI CO., LTD. (JP) 1992-07-08 EP claimed
US-4861713-A Novel method for determining cholinesterase activity NITTO BOSEKI CO., LTD. (JP) 1989-08-29 US claimed
EP-0241915-A1 Method for determining cholinesterase activity NITTO BOSEKI CO., LTD. (JP) 1987-10-21 EP claimed
JP-62244397-A None JP disclosed
EP-0241915-B1 METHOD FOR DETERMINING CHOLINESTERASE ACTIVITY NITTO BOSEKI CO., LTD. (JP) 1992-07-08 EP disclosed
US-4861713-A Novel method for determining cholinesterase activity NITTO BOSEKI CO., LTD. (JP) 1989-08-29 US disclosed
JP-S62244397-A NOVEL MEASUREMENT OF CHOLINE ESTERASE ACTIVITY NITTO BOSEKI CO LTD 1987-10-24 JP disclosed
EP-0241915-A1 Method for determining cholinesterase activity NITTO BOSEKI CO., LTD. (JP) 1987-10-21 EP disclosed