Iodide

Iodide

SCHEMBL22320990

CCCCC[n+]1csc2ccccc21.[I-]

nearest known ligand 0.51

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 0.37
KDM4E B2RXH2 12/20 0.51
MEN1 O00255 7/20 0.51
KMT2A Q03164 7/20 0.51
SMN1; SMN2 Q16637 7/20 0.51
NPC1 O15118 7/20 0.51
HTT P42858 6/20 0.51
RAB9A P51151 6/20 0.51
LMNA P02545 4/20 0.51
NPSR1 Q6W5P4 3/20 0.51
MAPK1 P28482 2/20 0.51
RAD52 P43351 2/20 0.51
RGS12 O14924 1/20 0.51
USP2 O75604 1/20 0.51
HSP90AA1 P07900 1/20 0.51
THRB P10828 1/20 0.51
MCL1 Q07820 1/20 0.51
ALDH1A1 P00352 10/20 0.50
MAPT P10636 6/20 0.50
HPGD P15428 6/20 0.50

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 SCHEMBL22320982 0.98 KDM4E (0.54) KDM4EMEN1KMT2ASMN1; SMN2NPC1
Iodide SCHEMBL8930202 0.98 KDM4E (0.54) KDM4EMEN1KMT2ASMN1; SMN2NPC1
Iodide SCHEMBL22320974 0.98 KDM4E (0.54) KDM4EMEN1KMT2ASMN1; SMN2NPC1
Iodide SCHEMBL22320968 0.98 KDM4E (0.54) KDM4EMEN1KMT2ASMN1; SMN2NPC1
Iodide SCHEMBL9038443 0.98 KDM4E (0.54) KDM4EMEN1KMT2ASMN1; SMN2NPC1
Iodide SCHEMBL22320981 0.98 KDM4E (0.54) KDM4EMEN1KMT2ASMN1; SMN2NPC1
Iodide SCHEMBL22320952 0.98 KDM4E (0.54) KDM4EMEN1KMT2ASMN1; SMN2NPC1
Iodide SCHEMBL22320985 0.98 KDM4E (0.54) KDM4EMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL29601928 0.98 KDM4E (0.51) KDM4EMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL9722985 0.97 KDM4E (0.51) KDM4EMEN1KMT2ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11359975-B2 Using ionic liquids in a programmable sensor INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2022-06-14 US claimed
US-20200256744-A1 USING IONIC LIQUIDS IN A PROGRAMMABLE SENSOR INTERNATIONAL BUSINESS MACHINES CORPORATION 2020-08-13 US claimed
US-11359975-B2 Using ionic liquids in a programmable sensor INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2022-06-14 US disclosed
US-20200256744-A1 USING IONIC LIQUIDS IN A PROGRAMMABLE SENSOR INTERNATIONAL BUSINESS MACHINES CORPORATION 2020-08-13 US disclosed