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)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.52 |
| ▸ | PTGS2 | P35354 | 8/20 | 0.75 |
| ▸ | PTGS1 | P23219 | 8/20 | 0.62 |
| ▸ | LMNA | P02545 | 5/20 | 0.62 |
| ▸ | CXCR1 | P25024 | 4/20 | 0.62 |
| ▸ | CXCR2 | P25025 | 4/20 | 0.62 |
| ▸ | SLC22A6 | Q4U2R8 | 3/20 | 0.62 |
| ▸ | MAPT | P10636 | 2/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.62 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.62 |
| ▸ | CXCL8 | P10145 | 2/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.62 |
| ▸ | RECQL | P46063 | 1/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.62 |
| ▸ | HPGD | P15428 | 1/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.62 |
| ▸ | THPO | P40225 | 1/20 | 0.62 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL3418 | 1.00 | PTGS2 (0.75) | PTGS2PTGS1LMNACXCR1CXCR2 | |
| Benzene SCHEMBL28145708 | 1.00 | PTGS2 (0.75) | PTGS2PTGS1LMNACXCR1CXCR2 | |
| SCHEMBL10411845 | 1.00 | PTGS2 (0.75) | PTGS2PTGS1LMNACXCR1CXCR2 | |
| SCHEMBL68873 | 1.00 | PTGS2 (0.75) | PTGS2PTGS1LMNACXCR1CXCR2 | |
| SCHEMBL66842 | 1.00 | PTGS2 (0.75) | PTGS2PTGS1LMNACXCR1CXCR2 | |
| SCHEMBL23581099 | 1.00 | PTGS2 (0.75) | PTGS2PTGS1LMNACXCR1CXCR2 | |
| Water SCHEMBL5314805 | 0.97 | PTGS2 (0.72) | PTGS2PTGS1LMNACXCR1CXCR2 | |
| SCHEMBL9569033 | 0.97 | PTGS2 (0.72) | PTGS2PTGS1LMNACXCR1CXCR2 | |
| SCHEMBL6534961 | 0.97 | PTGS2 (0.72) | PTGS2PTGS1LMNACXCR1CXCR2 | |
| SCHEMBL11783168 | 0.97 | PTGS2 (0.72) | PTGS2PTGS1LMNACXCR1CXCR2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1638505-A4 | AMPHIPHILIC PYRIDINIUM COMPOUNDS, METHOD OF MAKING AND USE THEREOF | JACKSON H M FOUND MILITARY MED (US) | 2009-01-07 | — | — | EP | disclosed |
| EP-1638505-A2 | AMPHIPHILIC PYRIDINIUM COMPOUNDS, METHOD OF MAKING AND USE THEREOF | HENRY M. JACKSON FOUNDATION FOR THE ADVANCEMENT OF MILITARY MEDICINE, INC. (US) | 2006-03-29 | — | — | EP | disclosed |
| WO-2005002519-A2 | AMPHIPHILIC PYRIDINIUM COMPOUNDS, METHOD OF MAKING AND USE THEREOF | HENRY M.JACKSON FOUNDATION FOR THE ADVANCEMENT OF MILITARY MEDICINE, INC. (US) | 2005-01-13 | — | — | WO | disclosed |