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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 14/20 | 0.73 |
| ▸ | SLC6A2 | P23975 | 12/20 | 0.73 |
| ▸ | SLC6A3 | Q01959 | 12/20 | 0.73 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.47 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.46 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL11551737 | 0.94 | SLC6A4 (0.68) | SLC6A4SLC6A2SLC6A3CYP2D6CYP3A4 | |
| SCHEMBL11185245 | 0.92 | SLC6A4 (0.75) | SLC6A4SLC6A2SLC6A3CYP2D6CYP3A4 | |
| SCHEMBL11185241 | 0.92 | SLC6A4 (0.75) | SLC6A4SLC6A2SLC6A3CYP2D6CYP3A4 | |
| SCHEMBL11185531 | 0.92 | SLC6A4 (0.75) | SLC6A4SLC6A2SLC6A3CYP2D6CYP3A4 | |
| SCHEMBL11535102 | 0.92 | SLC6A4 (0.75) | SLC6A4SLC6A2SLC6A3CYP2D6CYP3A4 | |
| SCHEMBL11246645 | 0.88 | SLC6A4 (0.68) | SLC6A4SLC6A2SLC6A3CYP2D6CYP3A4 | |
| SCHEMBL11246658 | 0.88 | SLC6A4 (0.68) | SLC6A4SLC6A2SLC6A3CYP2D6CYP3A4 | |
| Bromide SCHEMBL11266393 | 0.86 | SLC6A4 (0.66) | SLC6A4SLC6A2SLC6A3CYP2D6CYP3A4 | |
| Bromide SCHEMBL11252035 | 0.86 | SLC6A4 (0.66) | SLC6A4SLC6A2SLC6A3CYP2D6CYP3A4 | |
| SCHEMBL11761640 | 0.84 | SLC6A4 (1.00) | SLC6A4SLC6A2SLC6A3CYP2D6CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-4141894-A | ANALGESICS, ANTAGONISTS | ELI LILLY AND COMPANY (US) | 1979-02-27 | — | — | US | disclosed |