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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | TDO2 | P48775 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Iodide SCHEMBL7042578 | 1.00 | HIF1A (0.38) | HIF1AHRH3CYP2C9MAPTMAPK1 | |
| Bromide SCHEMBL7559694 | 0.97 | HIF1A (0.38) | HIF1AHRH3CYP2C9MAPTMAPK1 | |
| Bromide SCHEMBL7559700 | 0.97 | HIF1A (0.38) | HIF1AHRH3CYP2C9MAPTMAPK1 | |
| Iodide SCHEMBL9061370 | 0.95 | TLR4 (0.35) | HIF1AHRH3CYP2C9MAPTMAPK1 | |
| Iodide SCHEMBL9061377 | 0.95 | TLR4 (0.35) | HIF1AHRH3CYP2C9MAPTMAPK1 | |
| Iodide SCHEMBL9061361 | 0.95 | TLR4 (0.35) | HIF1AHRH3CYP2C9MAPTMAPK1 | |
| Iodide SCHEMBL13280558 | 0.87 | HIF1A (0.48) | HIF1AALDH1A1GAASIGMAR1IDO1 | |
| Iodide SCHEMBL8182049 | 0.86 | HIF1A (0.40) | HIF1AMAPTALDH1A1GAASIGMAR1 | |
| Iodide SCHEMBL8182047 | 0.86 | HIF1A (0.40) | HIF1AMAPTALDH1A1GAASIGMAR1 | |
| Bromide SCHEMBL7563821 | 0.85 | HRH3 (0.36) | HIF1AHRH3CYP2C9MAPTMAPK1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6017469-A | HAVING OUTSTANDING PROPERTIES WHEN THE NEMATIC LIQUID CRYSTAL MIXTURE CONTAINS AT LEAST ONE COMPOUND CONTAINING A 1,4-CYCLOHEXYLENE-CH=CH-GROUP; VERY SHORT RESPONSE TIMES; GOOD STEEPNESS AND ANGLE DEPENDENCIES | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2000-01-25 | — | — | US | disclosed |