Iodide

Iodide

SCHEMBL27462016

CC1=Cc2c(C(C)C)cc(C(C)C)cc2C1[Ti+2].[I-].[I-]

nearest known ligand 0.34

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 5)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
FABP3 P05413 2/20 0.33
FABP4 P15090 2/20 0.33
FABP5 Q01469 1/20 0.33

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
SCHEMBL28407141 0.78 GABRA1 (0.35) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL8506274 0.78 GABRA1 (0.35) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL27506824 0.78 GABRA1 (0.35) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL5860017 0.78 GABRA1 (0.35) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL7195945 0.77 GABRA1 (0.34) GABRA1GABRB2FABP3FABP4FABP5
Hydrochloric Acid SCHEMBL5583459 0.77 GABRA1 (0.34) GABRA1GABRB2FABP3FABP4FABP5
Hydrochloric Acid SCHEMBL9421533 0.77 GABRA1 (0.34) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL16415244 0.77 GABRA1 (0.34) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL4622636 0.77 GABRA1 (0.34) GABRA1GABRB2FABP3FABP4FABP5
Hydrochloric Acid SCHEMBL27463390 0.77 GABRA1 (0.34) GABRA1GABRB2FABP3FABP4FABP5

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-1160055-A Process for reducing by-product in product mixture HOECHST AG (DE) 1997-09-24 CN disclosed