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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | ADH1B | P00325 | 1/20 | 0.34 |
| ▸ | ADH1C | P00326 | 1/20 | 0.34 |
| ▸ | ADH1A | P07327 | 1/20 | 0.34 |
| ▸ | ADH7 | P40394 | 1/20 | 0.34 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1038657 | 0.98 | CYP3A4 (0.36) | CYP3A4TDP1ADH1BADH1CADH1A | |
| SCHEMBL11550852 | 0.85 | HIF1A (0.36) | CYP3A4TDP1ADH1BADH1CADH1A | |
| SCHEMBL22458131 | 0.83 | HIF1A (0.35) | CYP3A4TDP1ADH1BADH1CADH1A | |
| SCHEMBL18845437 | 0.82 | TSHR (0.35) | CYP3A4TDP1ADH1BADH1CADH1A | |
| SCHEMBL4749847 | 0.76 | CYP3A4 (0.36) | CYP3A4TDP1ALDH1A1 | |
| SCHEMBL27343 | 0.75 | CYP3A4 (0.50) | CYP3A4TDP1ALDH1A1 | |
| SCHEMBL6349486 | 0.75 | TDP1 (0.39) | CYP3A4TDP1ADH1BADH1CADH1A | |
| Phosphine SCHEMBL25423478 | 0.73 | CYP3A4 (0.47) | CYP3A4TDP1ALDH1A1 | |
| SCHEMBL5075553 | 0.73 | CYP3A4 (0.47) | CYP3A4TDP1ALDH1A1 | |
| SCHEMBL22749137 | 0.73 | CYP3A4 (0.47) | CYP3A4TDP1ALDH1A1 |
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-111148750-A | Azithromycin derivatives containing phosphonium ions as anticancer agents | 来兴泰德基金会 | 2020-05-12 | — | — | CN | disclosed |