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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | MLNR | O43193 | 1/20 | 0.36 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
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 | 0.79 | HIF1A (0.50) | HIF1ASLC6A2SLC6A4SLC6A3CYP1A2 | |
| Iodide SCHEMBL8528207 | 0.77 | HIF1A (0.44) | HIF1ASLC6A2SLC6A4SLC6A3CYP1A2 | |
| SCHEMBL3798593 | 0.76 | CACNA2D1 (0.36) | SLC6A2SLC6A4SLC6A3CYP1A2CYP2D6 | |
| Iodide SCHEMBL8532326 | 0.73 | HIF1A (0.43) | HIF1ACYP1A2CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL6461326 | 0.72 | SLC1A3 (0.41) | CYP2C19GAAKMT2AALDH1A1TSHR | |
| Iodide SCHEMBL8531961 | 0.72 | HIF1A (0.54) | HIF1ACYP1A2CYP2D6CYP2C19ALDH1A1 | |
| Iodide SCHEMBL8528371 | 0.72 | HIF1A (0.54) | HIF1ACYP1A2CYP2D6CYP2C19ALDH1A1 | |
| Iodide SCHEMBL8531432 | 0.68 | HIF1A (0.47) | HIF1ASLC6A2SLC6A4SLC6A3CYP1A2 | |
| Iodide SCHEMBL8530720 | 0.68 | HIF1A (0.43) | HIF1ACYP1A2CYP2D6CYP2C19GAA | |
| Iodide SCHEMBL8528635 | 0.67 | HIF1A (0.46) | HIF1ACYP1A2CYP2D6CYP2C19ALDH1A1 |
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 |