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 | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | CTSA | P10619 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 3/20 | 0.36 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | THPO | P40225 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2019895 | 0.99 | HTT (0.44) | HTTHDAC6HDAC1MEN1KMT2A | |
| Iodide SCHEMBL2019625 | 0.92 | HTT (0.43) | HTTHDAC6MEN1KMT2APPARG | |
| SCHEMBL2016153 | 0.91 | HTT (0.44) | HTTHDAC6MEN1KMT2APPARG | |
| SCHEMBL2052795 | 0.87 | HTT (0.44) | HTTHDAC6HDAC1MEN1KMT2A | |
| SCHEMBL2019532 | 0.86 | HDAC6 (0.49) | HTTHDAC6MEN1KMT2APPARG | |
| SCHEMBL2015349 | 0.85 | HTT (0.57) | HTTMEN1KMT2ATP53LMNA | |
| SCHEMBL2018490 | 0.85 | KDM4E (0.53) | HTTHDAC6MEN1KMT2ATSHR | |
| SCHEMBL2016173 | 0.85 | HTT (0.42) | HTTHDAC6PPARGLMNACYP1A2 | |
| SCHEMBL2014471 | 0.83 | MAPT (0.52) | HTTHDAC6MEN1KMT2ATSHR | |
| SCHEMBL2040435 | 0.83 | HTT (0.45) | HTTMEN1KMT2ACTSATP53 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011079087-A1 | ENAC BLOCKERS | GLAXO GROUP LIMITED (GB) | 2011-06-30 | — | — | WO | claimed |
| WO-2011079087-A1 | ENAC BLOCKERS | GLAXO GROUP LIMITED (GB) | 2011-06-30 | — | — | WO | disclosed |