Iodide

Iodide

SCHEMBL9618570

Cc1cc(-c2ccnc(C)c2)ccn1.I

nearest known ligand 0.63

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
DYRK1A Q13627 3/20 0.63
UHRF1 Q96T88 1/20 0.59
MAP4K4 O95819 3/20 0.52
CCNC P24863 2/20 0.50
CDK8 P49336 2/20 0.50
PIK3CB P42338 1/20 0.49
CDC7 O00311 1/20 0.46
ROCK2 O75116 1/20 0.46
CDK2 P24941 1/20 0.46
GSK3B P49841 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.46
NFATC1 O95644 1/20 0.44
PSEN1 P49768 3/20 0.44
PSEN2 P49810 3/20 0.44
APH1B Q8WW43 3/20 0.44
NCSTN Q92542 3/20 0.44
APH1A Q96BI3 3/20 0.44
PSENEN Q9NZ42 3/20 0.44

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
SCHEMBL30308690 0.97 DYRK1A (0.65) DYRK1AUHRF1MAP4K4CCNCCDK8
SCHEMBL1896511 0.97 DYRK1A (0.65) DYRK1AUHRF1MAP4K4CCNCCDK8
Iodide SCHEMBL28298350 0.91 DYRK1A (0.60) DYRK1AUHRF1MAP4K4CCNCCDK8
Iodide SCHEMBL28741643 0.89 DYRK1A (0.58) DYRK1AUHRF1MAP4K4CDC7ROCK2
SCHEMBL8964255 0.87 DYRK1A (0.62) DYRK1AUHRF1MAP4K4CCNCCDK8
SCHEMBL31119862 0.87 DYRK1A (0.62) DYRK1AUHRF1MAP4K4CCNCCDK8
Hydrochloric Acid SCHEMBL30657718 0.85 DYRK1A (0.60) DYRK1AUHRF1MAP4K4CCNCCDK8
SCHEMBL30559511 0.85 DYRK1A (0.60) DYRK1AUHRF1MAP4K4CDC7ROCK2
SCHEMBL134658 0.85 DYRK1A (0.60) DYRK1AUHRF1MAP4K4CDC7ROCK2
SCHEMBL18674428 0.85 UHRF1 (0.56) DYRK1AUHRF1MAP4K4CCNCCDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4337258-A None JP disclosed
JP-H04337258-A NONAQUEOUS ELECTROLYTE BATTERY SANYO ELECTRIC CO LTD 1992-11-25 JP disclosed