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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | PDE4A | P27815 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | PARG | Q86W56 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28973362 | 0.88 | NPSR1 (0.35) | ADORA2BUSP2L3MBTL1LMNAHTT | |
| Iodide SCHEMBL28973306 | 0.88 | ADORA2B (0.38) | ADORA2BUSP2L3MBTL1LMNAHTT | |
| Iodide SCHEMBL28973307 | 0.81 | TSHR (0.31) | — | |
| SCHEMBL28973360 | 0.77 | NPSR1 (0.35) | ADORA2BUSP2L3MBTL1LMNAHTT | |
| Iodide SCHEMBL28973364 | 0.77 | CYP1A2 (0.35) | ALDH1A1PDE4AADORA2APDE4BPDE4C | |
| Iodide SCHEMBL1609671 | 0.75 | KMT2A (0.32) | ADORA2BALDH1A1ADORA2A | |
| SCHEMBL15075735 | 0.73 | L3MBTL1 (0.37) | L3MBTL1HTTALDH1A1 | |
| SCHEMBL4058851 | 0.73 | KMT2A (0.33) | ADORA2BALDH1A1ADORA2A | |
| Iodide SCHEMBL28973311 | 0.71 | TSHR (0.31) | — | |
| SCHEMBL12713879 | 0.71 | SMN1; SMN2 (0.42) | LMNANPSR1CYP3A4POLB |
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 |
|---|---|---|---|---|---|---|---|
| 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 |