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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 6/20 | 0.51 |
| ▸ | CTSK | P43235 | 6/20 | 0.51 |
| ▸ | PPARA | Q07869 | 3/20 | 0.49 |
| ▸ | SYK | P43405 | 1/20 | 0.49 |
| ▸ | CTSL | P07711 | 3/20 | 0.47 |
| ▸ | CTSB | P07858 | 2/20 | 0.47 |
| ▸ | KLK7 | P49862 | 3/20 | 0.47 |
| ▸ | KLK5 | Q9Y337 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | PPARG | P37231 | 2/20 | 0.45 |
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 SCHEMBL6620788 | 1.00 | CTSS (0.51) | CTSSCTSKPPARASYKCTSL | |
| SCHEMBL6195543 | 0.85 | CTSS (0.63) | CTSSCTSKSYKCTSLKLK7 | |
| SCHEMBL29874482 | 0.84 | LMNA (0.55) | CTSSCTSKPPARASYKCTSL | |
| SCHEMBL6619713 | 0.84 | KLK7 (0.58) | CTSSCTSKPPARASYKCTSL | |
| SCHEMBL6619716 | 0.84 | KLK7 (0.58) | CTSSCTSKPPARASYKCTSL | |
| Iodide SCHEMBL31291914 | 0.84 | CTSS (0.59) | CTSSCTSKCTSLCTSB | |
| Iodide SCHEMBL6818352 | 0.84 | CTSS (0.59) | CTSSCTSKCTSLCTSB | |
| SCHEMBL29052617 | 0.82 | CTSK (0.69) | CTSSCTSKSYKCTSLCTSB | |
| SCHEMBL29052614 | 0.82 | CTSK (0.69) | CTSSCTSKSYKCTSLCTSB | |
| Iodide SCHEMBL30225303 | 0.81 | HDAC4 (0.57) | CTSSCTSKPPARACTSLCTSB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0891362-B1 | PYRROLOPYRROLONE DERIVATIVES AS INHIBITORS OF NEUTROPHIL ELASTASE | GLAXO GROUP LTD (GB) | 2004-03-17 | — | — | EP | disclosed |
| US-6215002-B1 | CYCLIZATION, DEBLOCKING, DEPROTECTION, SULFONATION, CONDENSATION, AMIDATION; ANTIINFLAMMATORY AGENTS; RESPIRATORY SYSTEM DISORDERS | GLAXO WELLCOME INC. | 2001-04-10 | — | — | US | disclosed |
| US-6057457-A | ENZYME INHIBITORS FOR PROTEASE OR ENZYMES OF HYDROLYSIS | GLAXO WELLCOME INC. (US) | 2000-05-02 | — | — | US | disclosed |