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 | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 11/20 | 0.59 |
| ▸ | CTSK | P43235 | 11/20 | 0.59 |
| ▸ | CTSB | P07858 | 3/20 | 0.56 |
| ▸ | CTSL | P07711 | 1/20 | 0.56 |
| ▸ | AKT1 | P31749 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | BACE1 | P56817 | 3/20 | 0.48 |
| ▸ | REN | P00797 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA3 | P07451 | 1/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.47 |
| ▸ | CA6 | P23280 | 1/20 | 0.47 |
| ▸ | CA5A | P35218 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.47 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.47 |
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 SCHEMBL31291914 | 1.00 | CTSS (0.59) | CTSSCTSKCTSBCTSLAKT1 | |
| Iodide SCHEMBL31291906 | 0.90 | CTSS (0.57) | CTSSCTSKCTSBCTSLCA1 | |
| Iodide SCHEMBL31291921 | 0.90 | CTSS (0.57) | CTSSCTSKCTSBCTSLCA1 | |
| SCHEMBL18546605 | 0.86 | CTSK (0.64) | CTSSCTSKCTSBCTSLAKT1 | |
| SCHEMBL22236516 | 0.86 | CTSK (0.68) | CTSSCTSKCTSBCTSLAKT1 | |
| SCHEMBL18546494 | 0.86 | CTSK (0.64) | CTSSCTSKCTSBCTSLAKT1 | |
| SCHEMBL25884513 | 0.86 | CTSK (0.64) | CTSSCTSKCTSBCTSLAKT1 | |
| SCHEMBL12009170 | 0.85 | CTSS (0.48) | CTSSCTSKCTSBCTSLSCN9A | |
| SCHEMBL23218021 | 0.85 | CTSS (0.63) | CTSSCTSKCTSBCTSLAKT1 | |
| SCHEMBL22236519 | 0.85 | CTSS (0.63) | CTSSCTSKCTSBCTSLAKT1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004022536-A1 | NEW HETEROCYCLIC AMIDE COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | GLENMARK PHARMACEUTICALS LIMITED (US) | 2004-03-18 | — | — | WO | disclosed |