Iodide

Iodide

SCHEMBL29054366

CCCCCCCCCCCNC(C)(C)COc1ccccc1.I

nearest known ligand 0.45

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
CHRM1 known ✓ P11229 1/20 0.43
CHRM3 known ✓ P20309 1/20 0.43
LTA4H P09960 2/20 0.45
HTR1A P08908 2/20 0.43
SLC6A3 Q01959 2/20 0.43
CYP2D6 P10635 1/20 0.43
SCN1A P35498 1/20 0.43
SCN5A Q14524 1/20 0.43
SCN2A Q99250 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SCN3A Q9NY46 1/20 0.43
MLNR O43193 1/20 0.43
NR1I2 O75469 1/20 0.43
ESR1 P03372 1/20 0.43
NR3C1 P04150 1/20 0.43
PGR P06401 1/20 0.43
ADRB2 P07550 1/20 0.43
CHRM2 P08172 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRA2A P08913 1/20 0.43

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 SCHEMBL29054332 1.00 LTA4H (0.45) LTA4HHTR1ASLC6A3CYP2D6SCN1A
Iodide SCHEMBL29054382 1.00 LTA4H (0.45) LTA4HHTR1ASLC6A3CYP2D6SCN1A
Iodide SCHEMBL29054367 1.00 LTA4H (0.45) LTA4HHTR1ASLC6A3CYP2D6SCN1A
Iodide SCHEMBL29054379 1.00 LTA4H (0.45) LTA4HHTR1ASLC6A3CYP2D6SCN1A
Iodide SCHEMBL29054422 1.00 LTA4H (0.45) LTA4HHTR1ASLC6A3CYP2D6SCN1A
Iodide SCHEMBL29054393 1.00 LTA4H (0.45) LTA4HHTR1ASLC6A3CYP2D6SCN1A
SCHEMBL28509572 0.98 LTA4H (0.46) LTA4HHTR1ASLC6A3CYP2D6SCN1A
Bromide SCHEMBL29054441 0.97 LTA4H (0.45) LTA4HHTR1ASLC6A3CYP2D6SCN1A
Hydrochloric Acid SCHEMBL29054350 0.97 LTA4H (0.45) LTA4HHTR1ASLC6A3CYP2D6SCN1A
Hydrochloric Acid SCHEMBL29054373 0.97 LTA4H (0.45) LTA4HHTR1ASLC6A3CYP2D6SCN1A

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-116349679-A Composite disinfection and sterilization method 孙国明 2023-06-30 CN claimed