Iodide

Iodide

SCHEMBL9434717

CC(C)Oc1nsnc1-c1cccnc1.I

nearest known ligand 0.53

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 2/20 0.53
CHRM3 known ✓ P20309 2/20 0.53
CHRM2 P08172 2/20 0.53
CHRM4 P08173 2/20 0.53
CHRM5 P08912 2/20 0.53
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
CYP2A6 P11509 9/20 0.41
CYP3A4 P08684 6/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
IDO1 P14902 1/20 0.38
LRRK2 Q5S007 1/20 0.38
MAP2K4 P45985 1/20 0.38
ATR Q13535 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL7615807 0.98 CHRM2 (0.54) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7614581 0.81 CHRM2 (0.69) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6623741 0.81 CHRM2 (0.57) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7610648 0.80 CHRM2 (0.60) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7619800 0.78 CHRM2 (0.65) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7613377 0.78 CHRM1 (0.64) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7609678 0.75 CHRM1 (0.69) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7617467 0.75 CHRM2 (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7617382 0.74 CHRM1 (0.71) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7613429 0.74 CHRM2 (0.57) CHRM2CHRM4CHRM5CHRM1CHRM3

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-5328925-A Alzheimer*s disease NOVO NORDISK A/S (DK) 1994-07-12 US disclosed