Iodide

Iodide

SCHEMBL5402073

I.c1ccc2c3c(ccc2c1)NCC3

nearest known ligand 0.47

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 1/20 0.41
NOTUM Q6P988 1/20 0.44
BCHE P06276 1/20 0.41
ALDH1A1 P00352 5/20 0.41
HSD17B10 Q99714 4/20 0.41
CYP2A6 P11509 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPGD P15428 4/20 0.40
HTT P42858 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
CASP1 P29466 1/20 0.40
MPI P34949 1/20 0.40

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
SCHEMBL582334 0.98 NOTUM (0.46) NOTUMBCHEACHEALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL5396075 0.96 NOTUM (0.44) NOTUMBCHEACHEALDH1A1HSD17B10
Bromide SCHEMBL8014734 0.96 NOTUM (0.44) NOTUMBCHEACHEALDH1A1HSD17B10
Bromide SCHEMBL5406141 0.96 NOTUM (0.44) NOTUMBCHEACHEALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL8013061 0.96 NOTUM (0.44) NOTUMBCHEACHEALDH1A1HSD17B10
SCHEMBL29269316 0.89 HPRT1 (0.50) NOTUMBCHEACHEALDH1A1HSD17B10
SCHEMBL1441340 0.87 BCHE (0.44) NOTUMBCHEALDH1A1HSD17B10CYP2A6
SCHEMBL6627569 0.85 BCHE (0.40) BCHEALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL8007486 0.82 HPGD (0.35) NOTUMBCHEACHEALDH1A1HSD17B10
SCHEMBL4507840 0.81 ALDH1A1 (0.45) NOTUMBCHEACHEALDH1A1HSD17B10

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
US-7214248-B1 Multi-component kit and method for temporarily dyeing and later decolorizing hair WELLA AG (DE) 2007-05-08 US disclosed