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 | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 10/20 | 0.61 |
| ▸ | PDE4B | Q07343 | 10/20 | 0.61 |
| ▸ | PDE4C | Q08493 | 10/20 | 0.61 |
| ▸ | PDE4D | Q08499 | 10/20 | 0.61 |
| ▸ | ADORA2A | P29274 | 9/20 | 0.61 |
| ▸ | ADORA2B | P29275 | 9/20 | 0.54 |
| ▸ | CFTR | P13569 | 2/20 | 0.54 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.54 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.52 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.52 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.52 |
| ▸ | ALPL | P05186 | 1/20 | 0.52 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | PDE2A | O00408 | 1/20 | 0.48 |
| ▸ | PDE5A | O76074 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL31337336 | 0.99 | PDE4A (0.62) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL28973315 | 0.90 | PDE4A (0.53) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| Iodide SCHEMBL28973317 | 0.87 | PDE4A (0.59) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL31337296 | 0.85 | PDE4A (0.61) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL28707357 | 0.82 | PDE4A (0.62) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| Iodide SCHEMBL28973350 | 0.80 | ADORA2B (0.54) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL27482339 | 0.79 | PDE4A (0.62) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL27577983 | 0.78 | ADORA2B (0.54) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL28973319 | 0.77 | PDE4A (0.52) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| Theophylline Anhydrous SCHEMBL28870701 | 0.77 | ADORA2B (0.83) | PDE4APDE4BPDE4CPDE4DADORA2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115850279-B | Theophylline derived spontaneous combustion ionic salt and preparation method thereof | 哈尔滨工业大学（深圳） | 2024-11-15 | — | — | CN | disclosed |
| CN-115850279-A | Theophylline derived autoignition ionic salt and preparation method thereof | 哈尔滨工业大学（深圳） | 2023-03-28 | — | — | CN | disclosed |