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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 16/20 | 0.43 |
| ▸ | ITGAV | P06756 | 15/20 | 0.43 |
| ▸ | ITGA2B | P08514 | 5/20 | 0.43 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | CTSB | P07858 | 1/20 | 0.35 |
| ▸ | CTSS | P25774 | 1/20 | 0.35 |
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 SCHEMBL7403599 | 0.84 | ITGB3 (0.49) | ITGB3ITGAVITGA2B | |
| SCHEMBL7405166 | 0.84 | ITGB3 (0.48) | ITGB3ITGAVITGA2BCTSLCTSB | |
| SCHEMBL7400722 | 0.74 | SYK (0.47) | ITGB3ITGA2B | |
| SCHEMBL7401332 | 0.70 | ITGB3 (0.59) | ITGB3ITGAVITGA2B | |
| SCHEMBL7401335 | 0.70 | ITGB3 (0.59) | ITGB3ITGAVITGA2B | |
| SCHEMBL7405171 | 0.70 | ITGB3 (0.47) | ITGB3ITGAVITGA2B | |
| Iodide SCHEMBL7403601 | 0.69 | ITGB3 (0.60) | ITGB3ITGAVITGA2B | |
| SCHEMBL6111422 | 0.69 | ITGB3 (0.60) | ITGB3ITGAVITGA2B | |
| SCHEMBL5027067 | 0.69 | ITGB3 (0.60) | ITGB3ITGAVITGA2B | |
| SCHEMBL13059980 | 0.67 | ITGB3 (0.54) | ITGB3ITGAVITGA2B |
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 |
|---|---|---|---|---|---|---|---|
| EP-0828737-A1 | ISOXAZOLINE AND ISOXAZOLE DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-03-18 | — | — | EP | disclosed |