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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 2/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.32 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 2/20 | 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 SCHEMBL28472258 | 0.80 | TNF (0.47) | PDE4APDE4BPDE4CPDE4D | |
| Iodide SCHEMBL1609671 | 0.77 | KMT2A (0.32) | — | |
| SCHEMBL15246613 | 0.71 | PDE4A (0.32) | PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL2614957 | 0.66 | HTT (0.42) | PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL2730449 | 0.66 | PDE4A (0.41) | PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL28973363 | 0.65 | — | — | |
| SCHEMBL7606573 | 0.64 | ADORA2A (0.36) | PDE4APDE4BPDE4CPDE4D | |
| Iodide SCHEMBL28973307 | 0.63 | TSHR (0.31) | — | |
| Iodide SCHEMBL28973311 | 0.63 | TSHR (0.31) | — | |
| SCHEMBL8004119 | 0.63 | TNF (0.40) | PDE4APDE4BPDE4CPDE4D |
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-111704634-B | Metal complex containing tridentate ligand and xanthine derivative ligand as well as preparation method and medical application of metal complex | 中国药科大学 | 2021-08-20 | — | — | CN | disclosed |
| CN-111704634-A | Metal complex containing tridentate ligand and xanthine derivative ligand as well as preparation method and medical application of metal complex | 中国药科大学 | 2020-09-25 | — | — | CN | disclosed |