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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SORD | Q00796 | 2/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 8/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | HTT | P42858 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | NAAA | Q02083 | 1/20 | 0.45 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | PHGDH | O43175 | 1/20 | 0.43 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
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 SCHEMBL7299396 | 0.95 | SORD (0.50) | SORDGAAKMT2ALMNASMN1; SMN2 | |
| Iodide SCHEMBL7308699 | 0.87 | SORD (0.56) | SORDGAAKMT2ALMNASMN1; SMN2 | |
| Iodide SCHEMBL7304073 | 0.83 | SORD (0.52) | SORDGAAKMT2ALMNASMN1; SMN2 | |
| Iodide SCHEMBL7307306 | 0.81 | SORD (0.47) | SORDGAAKMT2ALMNASMN1; SMN2 | |
| Bromide SCHEMBL7307800 | 0.81 | GAA (0.54) | SORDGAAKMT2ALMNASMN1; SMN2 | |
| Bromide SCHEMBL7303705 | 0.80 | LMNA (0.48) | SORDGAAKMT2ALMNASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL7305474 | 0.79 | SORD (0.47) | SORDGAAKMT2ALMNASMN1; SMN2 | |
| Bromide SCHEMBL7302309 | 0.79 | GAA (0.46) | SORDGAAKMT2ALMNASMN1; SMN2 | |
| Iodide SCHEMBL7298086 | 0.78 | SORD (0.48) | SORDGAAKMT2ALMNASMN1; SMN2 | |
| Iodide SCHEMBL7304275 | 0.78 | SORD (0.44) | SORDGAAKMT2ALMNASMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0621271-B1 | Benzoxazole derivatives and their use as serotonin 5-HT3 receptor antagonists | MEIJI SEIKA KAISHA (JP) | 2001-10-17 | — | — | EP | disclosed |
| US-5631257-A | ANTISEROTONIN AGENTS FOR TREATMENT OF NAUSEA AND ANTIEMETICS | MEIJI SEIKA KAISHA, LTD. (JP) | 1997-05-20 | — | — | US | disclosed |
| EP-0621271-A1 | Benzoxazole derivatives and their use as serotonin 5-HT3 receptor antagonists | MEIJI SEIKA KAISHA LTD. (JP) | 1994-10-26 | — | — | EP | disclosed |