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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK8 | P45983 | 2/20 | 0.41 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.41 |
| ▸ | CMA1 | P23946 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | PARG | Q86W56 | 4/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.35 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
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 SCHEMBL7467165 | 0.90 | CMA1 (0.42) | MAPK8MAPK9CMA1HDAC6HDAC1 | |
| SCHEMBL7460713 | 0.85 | MAPK8 (0.55) | MAPK8MAPK9CMA1HDAC6HDAC1 | |
| Iodide SCHEMBL4455368 | 0.82 | MAPT (0.40) | MAPTPARGSMN1; SMN2MEN1KMT2A | |
| SCHEMBL7466124 | 0.79 | CMA1 (0.46) | MAPK8MAPK9CMA1HDAC6HDAC1 | |
| SCHEMBL7461329 | 0.79 | CMA1 (0.46) | MAPK8MAPK9CMA1HDAC6HDAC1 | |
| SCHEMBL4456863 | 0.79 | GABRA5 (0.53) | MAPK8MAPK9CMA1PARGSMN1; SMN2 | |
| Iodide SCHEMBL7469549 | 0.77 | MAPT (0.41) | HDAC6MAPTPARGSMN1; SMN2MEN1 | |
| SCHEMBL7472478 | 0.77 | CCR2 (0.50) | MAPK8MAPK9CMA1HDAC6HDAC1 | |
| SCHEMBL7470273 | 0.77 | CCR2 (0.47) | MAPK8MAPK9CMA1HDAC6HDAC1 | |
| Iodide SCHEMBL4455366 | 0.77 | NOD1 (0.38) | CMA1MAPTNOD2NOD1TSHR |
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-0795548-B1 | QUINAZOLINE DERIVATIVES AND USE THEREOF | SUNTORY LTD (JP) | 2002-07-03 | — | — | EP | disclosed |
| US-5814631-A | CHYMASE INHIBITOR, CARDIVASCULAR | SUNTORY LIMITED (JP) | 1998-09-29 | — | — | US | disclosed |
| EP-0795548-A1 | QUINAZOLINE DERIVATIVES AND USE THEREOF | SUNTORY LIMITED (JP) | 1997-09-17 | — | — | EP | disclosed |