Iodide

Iodide

SCHEMBL8726973

C[n+]1cccc(C(=O)OCC(=O)[C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(O)C[C@@]32C)c1.[I-]

nearest known ligand 0.71

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 0.71
▸ HIF1A Q16665 10/20 0.71
▸ PGR P06401 3/20 0.71
▸ SERPINA6 P08185 2/20 0.71
▸ LMNA P02545 2/20 0.71
▸ AR P10275 2/20 0.71
▸ CYP3A4 P08684 2/20 0.67
▸ SMN1; SMN2 Q16637 3/20 0.66
▸ NFKB1 P19838 2/20 0.65
▸ PMP22 Q01453 1/20 0.65
▸ TSHR P16473 1/20 0.65
▸ NR3C1 P04150 8/20 0.64
▸ CYP2C19 P33261 2/20 0.64
▸ HSD17B10 Q99714 2/20 0.64
▸ MAPT P10636 2/20 0.64
▸ NR3C2 P08235 2/20 0.64
▸ SHBG P04278 1/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ POLB P06746 1/20 0.64
▸ GAA P10253 1/20 0.64

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 SCHEMBL8726967 1.00 HIF1A (0.71) HIF1APGRSERPINA6LMNAAR
SCHEMBL18278997 0.89 HIF1A (0.80) HIF1APGRSERPINA6LMNAAR
SCHEMBL13692155 0.85 HIF1A (0.79) HIF1APGRSERPINA6LMNAAR
SCHEMBL8722429 0.85 HIF1A (0.73) HIF1APGRSERPINA6LMNAAR
SCHEMBL8722422 0.85 HIF1A (0.73) HIF1APGRSERPINA6LMNAAR
SCHEMBL9835911 0.84 HIF1A (0.71) HIF1APGRSERPINA6LMNAAR
Hydrocortisone Acetate SCHEMBL4940901 0.83 HIF1A (1.00) HIF1APGRSERPINA6LMNAAR
Hydrocortisone Acetate SCHEMBL2452043 0.83 HIF1A (1.00) HIF1APGRSERPINA6LMNAAR
Hydrocortisone Acetate SCHEMBL7419 0.83 HIF1A (1.00) HIF1APGRSERPINA6LMNAAR
Hydrocortisone Acetate SCHEMBL2679809 0.83 HIF1A (1.00) HIF1APGRSERPINA6LMNAAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0335545-B2 Pharmaceutical formulations for parenteral use UNIV FLORIDA (US) 1998-09-23 — — EP disclosed
EP-0327766-B1 Redox systems for brain-targeted drug delivery UNIV FLORIDA (US) 1998-04-08 — — EP disclosed
US-5024998-A Administering in aqueous solution with cyclodextrin derivative UNIVERSITY OF FLORIDA (US) 1991-06-18 — — US disclosed
US-5002935-A Inclusion Complexing Hydroxypropylcyclodextrin with a Dihydropyridine-substituted Drug UNIVERSITY OF FLORIDA (US) 1991-03-26 — — US disclosed
US-4983586-A Decreasing precipitation at injection site or in lungs or other organs by combining with hydroxypropyl-beta-cyclodextrin UNIVERSITY OF FLORIDA (US) 1991-01-08 — — US disclosed
EP-0327766-A2 Redox systems for brain-targeted drug delivery UNIVERSITY OF FLORIDA (US) 1989-08-16 — — EP disclosed
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