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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | TPMT | P51580 | 1/20 | 0.35 |
| ▸ | SELL | P14151 | 1/20 | 0.33 |
| ▸ | SELP | P16109 | 1/20 | 0.33 |
| ▸ | SELE | P16581 | 1/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.33 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.33 |
| ▸ | C1S | P09871 | 1/20 | 0.33 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.33 |
| ▸ | RAPGEF4 | Q8WZA2 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | CCR6 | P51684 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL503226 | 0.96 | ALDH1A1 (0.47) | ALDH1A1TSHRACHETPMTSELL | |
| Bromide SCHEMBL28410545 | 0.93 | ALDH1A1 (0.44) | ALDH1A1TSHRACHETPMTSELL | |
| Hydrochloric Acid SCHEMBL4532923 | 0.90 | ALDH1A1 (0.42) | ALDH1A1TSHRACHETPMTSELL | |
| SCHEMBL19019985 | 0.82 | ACHE (0.44) | ALDH1A1TSHRACHERAPGEF4CYP3A4 | |
| Iodide SCHEMBL10443100 | 0.80 | ALDH1A1 (0.61) | ALDH1A1TSHRACHETPMTSELL | |
| SCHEMBL11322730 | 0.80 | TDP1 (0.63) | ALDH1A1TSHRACHETPMTCYP3A4 | |
| SCHEMBL29824611 | 0.80 | RXRA (0.40) | ALDH1A1TSHRACHECYP3A4TDP1 | |
| SCHEMBL10484492 | 0.80 | TDP1 (0.63) | ALDH1A1TSHRACHETPMTCYP3A4 | |
| Iodide SCHEMBL11281813 | 0.76 | ALDH1A1 (0.57) | ALDH1A1TSHRACHETPMTSELL | |
| SCHEMBL13840681 | 0.76 | ALDH1A1 (0.63) | ALDH1A1TSHRACHESELLSELP |
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 |