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 | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 3/20 | 0.45 |
| ▸ | MAOA | P21397 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | GLA | P06280 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 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 SCHEMBL7653657 | 0.87 | MAOB (0.58) | MAOBMAOAKDM4EALDH1A1GLA | |
| SCHEMBL7659749 | 0.82 | MEN1 (0.34) | MAOAKDM4EALDH1A1MEN1MAPT | |
| SCHEMBL3863140 | 0.69 | CASP1 (0.37) | MAOAKDM4EALDH1A1MEN1MAPT | |
| SCHEMBL29769963 | 0.69 | CASP1 (0.37) | MAOAKDM4EALDH1A1MEN1MAPT | |
| SCHEMBL4724433 | 0.66 | ADRA2A (0.34) | KDM4EALDH1A1MAPT | |
| SCHEMBL29458622 | 0.66 | ADRA2A (0.39) | KMT2A | |
| SCHEMBL9572969 | 0.66 | ADRA2A (0.39) | KMT2A | |
| SCHEMBL18023177 | 0.65 | MAPT (0.35) | MAOAKDM4EALDH1A1MEN1MAPT | |
| Hydrochloric Acid SCHEMBL11658196 | 0.65 | ADRA2A (0.38) | KMT2A | |
| SCHEMBL23348757 | 0.62 | PBRM1 (0.37) | MAOBMAOA |
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-2000007993-A1 | SUBSTITUTED ISOQUINOLEINES AND THEIR USE AS ANTICONVULSIVANTS | SMITHKLINE BEECHAM PLC (GB) | 2000-02-17 | — | — | WO | disclosed |