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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 9/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | TRAP1 | Q12931 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
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 SCHEMBL9817064 | 1.00 | CHRNA7 (0.49) | CHRNA7HIF1ATRAP1ALDH1A1CYP1A2 | |
| Iodide SCHEMBL3466381 | 0.89 | CHRNA7 (0.54) | CHRNA7HIF1ATRAP1ALDH1A1CYP1A2 | |
| Bromide SCHEMBL2806321 | 0.85 | HIF1A (0.54) | CHRNA7HIF1ATRAP1ALDH1A1CYP1A2 | |
| Iodide SCHEMBL1051101 | 0.84 | CHRNA7 (0.55) | CHRNA7HIF1ATRAP1ALDH1A1CYP1A2 | |
| Bromide SCHEMBL2701958 | 0.83 | HIF1A (0.47) | CHRNA7HIF1ATRAP1ALDH1A1CYP1A2 | |
| Bromide SCHEMBL2542018 | 0.77 | HIF1A (0.58) | CHRNA7HIF1ATRAP1ALDH1A1CYP1A2 | |
| Hydrochloric Acid SCHEMBL9318288 | 0.77 | HIF1A (0.58) | CHRNA7HIF1ATRAP1ALDH1A1CYP1A2 | |
| Hydrochloric Acid SCHEMBL25219263 | 0.77 | CHRNA7 (0.50) | CHRNA7HIF1ATRAP1ALDH1A1CYP1A2 | |
| Hydrochloric Acid SCHEMBL25206160 | 0.77 | HIF1A (0.48) | CHRNA7HIF1ATRAP1ALDH1A1CYP1A2 | |
| Hydrochloric Acid SCHEMBL25203803 | 0.77 | HTR1B (0.50) | CHRNA7HIF1A |
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-0190042-B1 | ORGANIC COMPOUNDS AND THEIR PHARMACEUTICAL USE | Lilly Industries Limited (GB) | 1991-10-30 | — | — | EP | disclosed |
| US-4675335-A | LEUKOTRIENE ANTAGONISTS | LILLY INDUSTRIES LIMITED (GB) | 1987-06-23 | — | — | US | disclosed |
| EP-0190042-A2 | Organic compounds and their pharmaceutical use | Lilly Industries Limited (GB) | 1986-08-06 | — | — | EP | disclosed |