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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | CHRNA7 | P36544 | 8/20 | 0.35 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TRAP1 | Q12931 | 2/20 | 0.34 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.33 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.33 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.33 |
| ▸ | CETP | P11597 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.32 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | MMP12 | P39900 | 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL8531432 | 0.78 | HIF1A (0.47) | HIF1ACHRNA7ALDH1A1CYP1A2CYP2D6 | |
| Iodide SCHEMBL10684637 | 0.76 | HIF1A (0.56) | HIF1ACHRNA7CSNK1EALDH1A1TRAP1 | |
| Decyltriphenylphosphonium SCHEMBL3654788 | 0.76 | HIF1A (0.56) | HIF1ACHRNA7CSNK1EALDH1A1TRAP1 | |
| Iodide SCHEMBL5085133 | 0.76 | HIF1A (0.56) | HIF1ACHRNA7CSNK1EALDH1A1TRAP1 | |
| Iodide SCHEMBL6904643 | 0.76 | HIF1A (0.56) | HIF1ACHRNA7CSNK1EALDH1A1TRAP1 | |
| Iodide SCHEMBL5091833 | 0.76 | HIF1A (0.56) | HIF1ACHRNA7CSNK1EALDH1A1TRAP1 | |
| Iodide SCHEMBL5085194 | 0.76 | HIF1A (0.56) | HIF1ACHRNA7CSNK1EALDH1A1TRAP1 | |
| Iodide SCHEMBL3859955 | 0.76 | HIF1A (0.56) | HIF1ACHRNA7CSNK1EALDH1A1TRAP1 | |
| Iodide SCHEMBL2354963 | 0.76 | HIF1A (0.56) | HIF1ACHRNA7CSNK1EALDH1A1TRAP1 | |
| Iodide SCHEMBL5086696 | 0.76 | HIF1A (0.56) | HIF1ACHRNA7CSNK1EALDH1A1TRAP1 |
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 4 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 |
| US-5208222-A | Anthelemetic | MERCK & CO., INC. (US) | 1993-05-04 | — | — | US | disclosed |
| EP-0506331-A1 | 4\"-and 4'-alkylthio-avermectin derivatives | MERCK & CO. INC. (US) | 1992-09-30 | — | — | EP | disclosed |
| EP-0428286-A2 | 24- and 25-substituted avermectin and milbemycin derivatives | MERCK & CO. INC. (US) | 1991-05-22 | — | — | EP | disclosed |