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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.72 |
| ▸ | POLB | P06746 | 2/20 | 0.64 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.63 |
| ▸ | ADORA2B | P29275 | 7/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.60 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.60 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.59 |
| ▸ | GLA | P06280 | 1/20 | 0.58 |
| ▸ | BLM | P54132 | 1/20 | 0.58 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL10394509 | 0.99 | MAPK1 (0.73) | MAPK1POLBHIF1AKMT2AADORA2B | |
| SCHEMBL27699778 | 0.94 | MAPK1 (0.67) | MAPK1POLBHIF1AKMT2AADORA2B | |
| SCHEMBL23974838 | 0.88 | POLB (0.62) | MAPK1POLBHIF1AKMT2AADORA2B | |
| SCHEMBL23974590 | 0.88 | ADORA2A (0.63) | MAPK1POLBHIF1AADORA2BSMN1; SMN2 | |
| SCHEMBL11014928 | 0.86 | POLB (0.83) | MAPK1POLBHIF1AKMT2AADORA2B | |
| SCHEMBL9392195 | 0.84 | POLB (0.65) | MAPK1POLBHIF1AADORA2BSMN1; SMN2 | |
| SCHEMBL10955871 | 0.84 | ABCC8 (0.64) | MAPK1POLBKMT2AADORA2BSMN1; SMN2 | |
| SCHEMBL29148051 | 0.83 | ADORA2B (0.62) | MAPK1POLBKMT2AADORA2BNPSR1 | |
| SCHEMBL23974832 | 0.82 | HPGD (0.57) | MAPK1POLBHIF1AKMT2AADORA2B | |
| SCHEMBL18989514 | 0.82 | MAPK1 (0.66) | MAPK1HIF1AKMT2AADORA2BSMN1; SMN2 |
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 |