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 | |
|---|---|---|---|---|
| ▸ | GRIN2D | O15399 | 4/20 | 0.48 |
| ▸ | GRIN3B | O60391 | 4/20 | 0.48 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.48 |
| ▸ | GRIN2A | Q12879 | 4/20 | 0.48 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.48 |
| ▸ | GRIN2C | Q14957 | 4/20 | 0.48 |
| ▸ | GRIN3A | Q8TCU5 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CCR6 | P51684 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1239132 | 0.98 | GRIN2D (0.50) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL11697939 | 0.69 | GRIN2D (0.68) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL14696505 | 0.67 | GRIN2D (0.46) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL660423 | 0.67 | ALDH1A1 (0.53) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL973650 | 0.66 | GRIN2D (1.00) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL237474 | 0.66 | GRIN2D (0.56) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL2757 | 0.66 | GRIN2D (0.56) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| Iodide SCHEMBL1714835 | 0.65 | EPHX2 (0.54) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL8189077 | 0.65 | GRIN2D (0.45) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL31226487 | 0.65 | GRIN2D (0.45) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B |
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-1512679-B1 | Novel adamantane derivatives with neuroprotective, antidepressant and anti-ischaemic activities, and process for preparing them | ROTTAPHARM SPA (IT) | 2011-07-20 | — | — | EP | disclosed |