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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.37 |
| ▸ | KCNJ1 | P48048 | 2/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
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 SCHEMBL5262196 | 0.94 | KCNJ1 (0.44) | KCNJ1KCNH2ALDH1A1NPSR1NPC1 | |
| SCHEMBL5261202 | 0.93 | KCNJ1 (0.45) | KCNJ1KCNH2ALDH1A1NPSR1NPC1 | |
| SCHEMBL11024329 | 0.79 | ESR1 (0.69) | KCNJ1KCNH2ALDH1A1NPC1ESR1 | |
| SCHEMBL7008328 | 0.78 | KMT2A (0.55) | KCNJ1KCNH2ALDH1A1NPSR1NPC1 | |
| SCHEMBL13294115 | 0.76 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2MAPTL3MBTL1CYP1A2 | |
| SCHEMBL4437809 | 0.76 | POLB (0.58) | KCNJ1KCNH2ALDH1A1NPC1ESR1 | |
| SCHEMBL27545481 | 0.74 | MAPT (0.51) | KCNJ1KCNH2ALDH1A1NPC1MAPT | |
| SCHEMBL28051268 | 0.73 | MAPT (0.50) | KCNJ1KCNH2ALDH1A1NPC1MAPT | |
| SCHEMBL16806060 | 0.72 | ALDH1A1 (0.50) | KCNJ1KCNH2ALDH1A1NPC1MAPT | |
| SCHEMBL16806066 | 0.72 | ALDH1A1 (0.50) | KCNJ1KCNH2ALDH1A1NPC1MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1773817-A1 | SUBSTITUTED ARYL-AMINE DERIVATIVES AND METHODS OF USE | Amgen Inc. (US) | 2007-04-18 | — | — | EP | disclosed |
| WO-2006012374-A1 | SUBSTITUTED ARYL-AMINE DERIVATIVES AND METHODS OF USE | AMGEN INC. (US) | 2006-02-02 | — | — | WO | disclosed |