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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 17/20 | 0.68 |
| ▸ | CNR2 | P34972 | 1/20 | 0.63 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.63 |
| ▸ | HTR1A | P08908 | 1/20 | 0.61 |
| ▸ | PKM | P14618 | 1/20 | 0.61 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.61 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.61 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.61 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9879816 | 0.99 | PTGS2 (0.68) | PTGS2CNR2AKR1C3HTR1APKM | |
| SCHEMBL8728498 | 0.85 | PTGS2 (0.71) | PTGS2CNR2AKR1C3HTR1APKM | |
| SCHEMBL17703439 | 0.82 | PTGS2 (0.81) | PTGS2CNR2AKR1C3HTR1APKM | |
| SCHEMBL12742120 | 0.81 | PTGS2 (0.91) | PTGS2CNR2AKR1C3HTR1APKM | |
| SCHEMBL30077218 | 0.81 | PTGS2 (0.91) | PTGS2CNR2AKR1C3HTR1APKM | |
| SCHEMBL1394516 | 0.81 | PTGS2 (0.81) | PTGS2CNR2AKR1C3HTR1APKM | |
| Iodide SCHEMBL12988903 | 0.80 | PTGS2 (0.69) | PTGS2CNR2AKR1C3HTR1APKM | |
| SCHEMBL11174704 | 0.80 | PTGS2 (0.85) | PTGS2CNR2AKR1C3HTR1APKM | |
| SCHEMBL13813542 | 0.80 | PTGS2 (1.00) | PTGS2CNR2AKR1C3HTR1APKM | |
| SCHEMBL18878977 | 0.79 | PTGS2 (0.81) | PTGS2CNR2AKR1C3HTR1APKM |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-5017566-A | Redox systems for brain-targeted drug delivery | UNIVERSITY OF FLORIDA (US) | 1991-05-21 | — | — | US | disclosed |
| EP-0335545-A2 | Pharmaceutical formulations for parenteral use | UNIVERSITY OF FLORIDA (US) | 1989-10-04 | — | — | EP | disclosed |
| EP-0327766-A2 | Redox systems for brain-targeted drug delivery | UNIVERSITY OF FLORIDA (US) | 1989-08-16 | — | — | EP | disclosed |