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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 4/20 | 0.43 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.62 |
| ▸ | AURKA | O14965 | 1/20 | 0.62 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.62 |
| ▸ | JAK2 | O60674 | 1/20 | 0.62 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.62 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.62 |
| ▸ | PAK4 | O96013 | 1/20 | 0.62 |
| ▸ | ABL1 | P00519 | 1/20 | 0.62 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.62 |
| ▸ | LCK | P06239 | 1/20 | 0.62 |
| ▸ | FYN | P06241 | 1/20 | 0.62 |
| ▸ | CSF1R | P07333 | 1/20 | 0.62 |
| ▸ | RET | P07949 | 1/20 | 0.62 |
| ▸ | IGF1R | P08069 | 1/20 | 0.62 |
| ▸ | MET | P08581 | 1/20 | 0.62 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.62 |
| ▸ | PIM1 | P11309 | 1/20 | 0.62 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.62 |
| ▸ | PDGFRA | P16234 | 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL28598560 | 1.00 | CHEK1 (0.62) | CHEK1AURKADAPK3JAK2PRKD3 | |
| SCHEMBL6904077 | 0.98 | CHEK1 (0.65) | CHEK1AURKADAPK3JAK2PRKD3 | |
| SCHEMBL28458018 | 0.90 | CHEK1 (0.57) | CHEK1AURKADAPK3JAK2PRKD3 | |
| SCHEMBL22480499 | 0.86 | CHEK1 (0.53) | CHEK1AURKADAPK3JAK2PRKD3 | |
| SCHEMBL14154058 | 0.84 | CHEK1 (0.50) | CHEK1AURKADAPK3JAK2PRKD3 | |
| SCHEMBL5272690 | 0.84 | CHEK1 (0.64) | CHEK1AURKADAPK3JAK2PRKD3 | |
| SCHEMBL22402101 | 0.83 | CHEK1 (0.62) | CHEK1AURKADAPK3JAK2PRKD3 | |
| SCHEMBL9952138 | 0.82 | CHEK1 (0.49) | CHEK1AURKADAPK3JAK2PRKD3 | |
| SCHEMBL29915854 | 0.82 | CHEK1 (0.49) | CHEK1AURKADAPK3JAK2PRKD3 | |
| SCHEMBL3423462 | 0.80 | PDGFRB (0.57) | CHEK1AURKADAPK3JAK2PRKD3 |
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-113121439-B | Compound, pharmaceutical composition, medicine and application of compound, pharmaceutical composition and medicine in preparation of antibacterial product | 山东大学 | 2022-05-03 | — | — | CN | disclosed |