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 | 0.44 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 7/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL8038400 | 0.91 | HIF1A (0.50) | HIF1ASLC6A2SLC6A4SLC6A3ALDH1A1 | |
| Iodide SCHEMBL8532326 | 0.81 | HIF1A (0.43) | HIF1AALDH1A1CYP2C19CYP1A2CYP2D6 | |
| Iodide SCHEMBL8530614 | 0.77 | HIF1A (0.42) | HIF1ASLC6A2SLC6A4SLC6A3GAA | |
| Iodide SCHEMBL8531961 | 0.74 | HIF1A (0.54) | HIF1AALDH1A1CYP2C19CYP1A2CYP2D6 | |
| Iodide SCHEMBL8528371 | 0.74 | HIF1A (0.54) | HIF1AALDH1A1CYP2C19CYP1A2CYP2D6 | |
| Iodide SCHEMBL8531432 | 0.70 | HIF1A (0.47) | HIF1ASLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL8040083 | 0.69 | SLC6A4 (0.38) | SLC6A2SLC6A4SLC6A3GAACYP2C19 | |
| Iodide SCHEMBL8528635 | 0.69 | HIF1A (0.46) | HIF1AALDH1A1CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL12091397 | 0.67 | SLC6A4 (0.36) | SLC6A2SLC6A4SLC6A3CYP2C19CYP1A2 | |
| Iodide SCHEMBL8530720 | 0.67 | HIF1A (0.43) | HIF1AGAAALDH1A1CYP2C19CYP1A2 |
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 |