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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.36 |
| ▸ | SORD | Q00796 | 2/20 | 0.35 |
| ▸ | STS | P08842 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | NAAA | Q02083 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | GPR119 | Q8TDV5 | 3/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL6488179 | 0.86 | KDM4E (0.41) | KMT2ANPC1RAB9AGPR119 | |
| Iodide SCHEMBL7305544 | 0.85 | GABRP (0.44) | GAAKMT2AAPP | |
| Iodide SCHEMBL7307306 | 0.84 | SORD (0.47) | SORDGAAKMT2ANAAA | |
| Iodide SCHEMBL7307948 | 0.83 | PRKDC (0.38) | SORDGAAKMT2A | |
| Iodide SCHEMBL7305936 | 0.82 | NPC1 (0.40) | GAAKMT2ANPC1RAB9A | |
| Hydrochloric Acid SCHEMBL7305474 | 0.81 | SORD (0.47) | SORDGAAKMT2ANAAA | |
| SCHEMBL7340538 | 0.81 | NPC1 (0.41) | GAAKMT2ANPC1RAB9A | |
| Iodide SCHEMBL7304275 | 0.80 | SORD (0.44) | SORDGAAKMT2ANAAA | |
| Iodide SCHEMBL6501966 | 0.80 | PTGES (0.46) | — | |
| Bromide SCHEMBL6488073 | 0.80 | PIK3CB (0.38) | NPC1RAB9A |
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 |