Iodide

Iodide

SCHEMBL8670276

CCCCCCCCCCCCCCCCCCCCC(CCC(CC[n+]1c2ccccc2cc2ccccc21)N(C)C)N(C)C.[I-]

nearest known ligand 0.58

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
MEN1 O00255 7/20 0.58
KMT2A Q03164 7/20 0.58
NPC1 O15118 6/20 0.58
ATM Q13315 2/20 0.58
RAB9A P51151 7/20 0.54
HTT P42858 7/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
KDM4E B2RXH2 5/20 0.42
NPSR1 Q6W5P4 4/20 0.42
LMNA P02545 3/20 0.42
MAPK1 P28482 2/20 0.42
RAD52 P43351 2/20 0.42
RGS12 O14924 1/20 0.42
USP2 O75604 1/20 0.42
HSP90AA1 P07900 1/20 0.42
THRB P10828 1/20 0.42
MCL1 Q07820 1/20 0.42
ALDH1A1 P00352 5/20 0.35
GAA P10253 4/20 0.35
GLA P06280 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
Bromide SCHEMBL9065129 0.83 MEN1 (0.50) MEN1KMT2ANPC1ATMRAB9A
SCHEMBL3363229 0.77 MEN1 (0.83) MEN1KMT2ANPC1ATMRAB9A
SCHEMBL8651550 0.77 MEN1 (0.83) MEN1KMT2ANPC1ATMRAB9A
SCHEMBL9064445 0.77 MEN1 (0.83) MEN1KMT2ANPC1ATMRAB9A
SCHEMBL2462923 0.77 MEN1 (0.83) MEN1KMT2ANPC1ATMRAB9A
Iodide SCHEMBL8917096 0.76 KMT2A (0.49) MEN1KMT2ANPC1ATMRAB9A
SCHEMBL8007458 0.75 MEN1 (0.86) MEN1KMT2ANPC1ATMRAB9A
Iodide SCHEMBL17423284 0.72 MEN1 (1.00) MEN1KMT2ANPC1ATMRAB9A
Iodide SCHEMBL8920749 0.69 MEN1 (0.63) MEN1KMT2ANPC1ATMRAB9A
SCHEMBL27561681 0.68 MEN1 (0.83) MEN1KMT2ANPC1ATMRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1990002334-A1 REAGENTS AND METHODS FOR DETERMINATION OF ANALYTES ZYNAXIS TECHNOLOGIES, INC. (US) 1990-03-08 WO claimed
EP-0471792-B1 METHODS, REAGENTS AND TEST KITS FOR DETERMINATION OF SUBPOPULATIONS OF BIOLOGICAL ENTITIES INTRACEL CORP (US) 1998-12-23 EP disclosed
US-5375606-A Injecting microspheres coupled to bioaffecting compound having detectable moiety, measuring microspheres in volume of blood withdrawn, recovering tissue, extracting compound, measuring intensity, correlating to microspheres, calculating blood flow ZYNAXIS, INC. (US) 1994-12-27 US disclosed
US-5256532-A Coupling analyte to detectable reporter substance ZYNAXIS TECHNOLOGIES, INC. (US) 1993-10-26 US disclosed
EP-0471792-A4 METHODS, REAGENTS AND TEST KITS FOR DETERMINATION OF SUBPOPULATIONS OF BIOLOGICAL ENTITIES 1992-09-16 EP disclosed
EP-0471792-A1 METHODS, REAGENTS AND TEST KITS FOR DETERMINATION OF SUBPOPULATIONS OF BIOLOGICAL ENTITIES Zynaxis Inc. (US) 1992-02-26 EP disclosed
WO-1990014435-A1 METHODS, REAGENTS AND TEST KITS FOR DETERMINATION OF SUBPOPULATIONS OF BIOLOGICAL ENTITIES ZYNAXIS TECHNOLOGIES, INC. (US) 1990-11-29 WO disclosed
WO-1990002334-A1 REAGENTS AND METHODS FOR DETERMINATION OF ANALYTES ZYNAXIS TECHNOLOGIES, INC. (US) 1990-03-08 WO disclosed