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 1)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL323897 | 0.98 | TRPA1 (0.39) | TRPA1 | |
| SCHEMBL27596728 | 0.96 | TRPA1 (0.38) | TRPA1 | |
| Hydrochloric Acid SCHEMBL10932771 | 0.96 | TRPA1 (0.38) | TRPA1 | |
| SCHEMBL214255 | 0.76 | TRPA1 (0.42) | TRPA1 | |
| SCHEMBL8822807 | 0.71 | RPS6KA3 (0.34) | — | |
| SCHEMBL30218263 | 0.69 | TRPA1 (0.32) | TRPA1 | |
| SCHEMBL29394860 | 0.69 | TRPA1 (0.32) | TRPA1 | |
| SCHEMBL9850771 | 0.68 | — | — | |
| SCHEMBL8106506 | 0.67 | TRPA1 (0.33) | TRPA1 | |
| SCHEMBL620184 | 0.65 | TRPA1 (0.41) | TRPA1 |
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-2000073313-A1 | NEW TRICYCLIC AMIDINE DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE | ASTRAZENECA AB (SE) | 2000-12-07 | — | — | WO | disclosed |