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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | APAF1 | O14727 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | ATG4B | Q9Y4P1 | 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL359425 | 0.97 | — | — | |
| SCHEMBL8901943 | 0.97 | MEN1 (0.39) | MEN1APAF1NPC1PLA2G1BHSP90AA1 | |
| Iodide SCHEMBL8151273 | 0.97 | MEN1 (0.39) | MEN1APAF1NPC1PLA2G1BHSP90AA1 | |
| Iodide SCHEMBL8151275 | 0.94 | — | — | |
| SCHEMBL35176 | 0.94 | — | — | |
| Fluoride SCHEMBL28440237 | 0.94 | — | — | |
| Water SCHEMBL5669355 | 0.92 | — | — | |
| Fluoride Ion SCHEMBL1896493 | 0.92 | — | — | |
| SCHEMBL8901949 | 0.92 | MEN1 (0.39) | MEN1APAF1NPC1PLA2G1BHSP90AA1 | |
| SCHEMBL31000062 | 0.92 | — | — |
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-1997036865-A1 | PROCESS FOR PRODUCING INTERMEDIATE COMPOUNDS FOR THE PRODUCTION OF FACTOR Xa INHIBITORS | BOEHRINGER MANNHEIM GMBH (DE) | 1997-10-09 | — | — | WO | disclosed |