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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 9/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | GRIN2D | O15399 | 3/20 | 0.45 |
| ▸ | GRIN3B | O60391 | 3/20 | 0.45 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.45 |
| ▸ | GRIN2A | Q12879 | 3/20 | 0.45 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.45 |
| ▸ | GRIN2C | Q14957 | 3/20 | 0.45 |
| ▸ | GRIN3A | Q8TCU5 | 3/20 | 0.45 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.42 |
| ▸ | CCR6 | P51684 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1239130 | 0.98 | EPHX2 (0.56) | EPHX2MEN1KMT2AALDH1A1TSHR | |
| SCHEMBL5889279 | 0.87 | EPHX2 (0.53) | EPHX2MEN1KMT2AALDH1A1TSHR | |
| SCHEMBL5889303 | 0.80 | MEN1 (0.41) | EPHX2MEN1KMT2AALDH1A1TSHR | |
| SCHEMBL2280187 | 0.79 | ALDH1A1 (0.69) | EPHX2MEN1KMT2AALDH1A1TSHR | |
| SCHEMBL15739698 | 0.79 | ALDH1A1 (0.68) | EPHX2ALDH1A1TSHRGRIN2DGRIN3B | |
| Hydrochloric Acid SCHEMBL28488097 | 0.77 | ALDH1A1 (0.66) | EPHX2KMT2AALDH1A1TSHRP2RX7 | |
| SCHEMBL1713895 | 0.75 | GRIN1 (0.56) | EPHX2MEN1KMT2AGRIN2DGRIN3B | |
| SCHEMBL13556180 | 0.74 | ALDH1A1 (0.61) | EPHX2ALDH1A1TSHRP2RX7L3MBTL1 | |
| SCHEMBL18624772 | 0.73 | ALDH1A1 (0.59) | EPHX2KMT2AALDH1A1TSHRP2RX7 | |
| SCHEMBL8338683 | 0.72 | MEN1 (0.67) | EPHX2MEN1KMT2AALDH1A1TSHR |
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 |