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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.33 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.33 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.33 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | GCGR | P47871 | 1/20 | 0.31 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.30 |
| ▸ | CHRNA7 | P36544 | 6/20 | 0.30 |
| ▸ | CETP | P11597 | 1/20 | 0.30 |
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 SCHEMBL8529110 | 0.79 | ALDH1A1 (0.37) | ALDH1A1PRSS1PRSS2PRSS3HIF1A | |
| Iodide SCHEMBL8528382 | 0.72 | HIF1A (0.35) | PRSS1PRSS2PRSS3HIF1ACHRNA7 | |
| Iodide SCHEMBL8528209 | 0.72 | HIF1A (0.35) | PRSS1PRSS2PRSS3HIF1ACHRNA7 | |
| Bromide SCHEMBL8529190 | 0.71 | HIF1A (0.38) | ALDH1A1HIF1A | |
| Bromide SCHEMBL8529193 | 0.71 | HIF1A (0.38) | ALDH1A1HIF1A | |
| Iodide SCHEMBL8530387 | 0.70 | HIF1A (0.43) | ALDH1A1PRSS1PRSS2PRSS3CSNK1E | |
| Iodide SCHEMBL8528328 | 0.70 | HIF1A (0.33) | HIF1A | |
| Bromide SCHEMBL28576198 | 0.70 | HIF1A (0.43) | ALDH1A1CSNK1EHIF1AMEN1KMT2A | |
| Bromide SCHEMBL29670981 | 0.70 | HIF1A (0.43) | ALDH1A1CSNK1EHIF1AMEN1KMT2A | |
| Bromide SCHEMBL27803552 | 0.70 | HIF1A (0.43) | ALDH1A1CSNK1EHIF1AMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-5830875-A | PARASITICIDES | MERCK & CO., INC. (US) | 1998-11-03 | — | — | US | disclosed |
| EP-0428286-A2 | 24- and 25-substituted avermectin and milbemycin derivatives | MERCK & CO. INC. (US) | 1991-05-22 | — | — | EP | disclosed |