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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 2/20 | 0.42 |
| ▸ | NOS2 | P35228 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 6/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | HTR7 | P34969 | 1/20 | 0.31 |
| ▸ | HTR5A | P47898 | 1/20 | 0.31 |
| ▸ | HTR6 | P50406 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.31 |
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 SCHEMBL175827 | 0.86 | MAOB (0.44) | NOS3NOS2MAOAMAOBADRB2 | |
| SCHEMBL19055591 | 0.84 | MAOB (0.42) | NOS3NOS2MAOAMAOBADRB2 | |
| SCHEMBL29385430 | 0.82 | NOS3 (0.59) | NOS3NOS2MAOAKDM4EALDH1A1 | |
| SCHEMBL30310 | 0.82 | NOS3 (0.59) | NOS3NOS2MAOAKDM4EALDH1A1 | |
| SCHEMBL28258566 | 0.76 | NOS3 (0.52) | NOS3NOS2MAOAKDM4EALDH1A1 | |
| Propionaldehyde SCHEMBL28255197 | 0.71 | NOS3 (0.46) | NOS3NOS2MAOAKDM4EALDH1A1 | |
| SCHEMBL28255196 | 0.70 | NOS3 (0.45) | NOS3NOS2MAOAKDM4EALDH1A1 | |
| SCHEMBL7650854 | 0.66 | ALDH1A1 (0.46) | NOS3NOS2MAOAKDM4EALDH1A1 | |
| SCHEMBL8603671 | 0.65 | ALDH1A1 (0.44) | NOS3NOS2MAOAKDM4EALDH1A1 | |
| Iodide SCHEMBL9378363 | 0.65 | MAOB (0.41) | MAOAKDM4EALDH1A1MAPTMAOB |
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 |