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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.36 |
| ▸ | GABRP | O00591 | 4/20 | 0.44 |
| ▸ | GABRD | O14764 | 4/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 4/20 | 0.44 |
| ▸ | GABRB1 | P18505 | 4/20 | 0.44 |
| ▸ | GABRG2 | P18507 | 4/20 | 0.44 |
| ▸ | GABRB3 | P28472 | 4/20 | 0.44 |
| ▸ | GABRA5 | P31644 | 4/20 | 0.44 |
| ▸ | GABRA3 | P34903 | 4/20 | 0.44 |
| ▸ | GABRA2 | P47869 | 4/20 | 0.44 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.44 |
| ▸ | GABRA4 | P48169 | 4/20 | 0.44 |
| ▸ | GABRE | P78334 | 4/20 | 0.44 |
| ▸ | GABRA6 | Q16445 | 4/20 | 0.44 |
| ▸ | GABRG1 | Q8N1C3 | 4/20 | 0.44 |
| ▸ | GABRG3 | Q99928 | 4/20 | 0.44 |
| ▸ | GABRQ | Q9UN88 | 4/20 | 0.44 |
| ▸ | F2RL3 | Q96RI0 | 2/20 | 0.37 |
| ▸ | APP | P05067 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
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 SCHEMBL7306788 | 0.85 | ESR1 (0.36) | APPGAAKMT2A | |
| Bromide SCHEMBL6488179 | 0.84 | KDM4E (0.41) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| Iodide SCHEMBL7307948 | 0.84 | PRKDC (0.38) | FAAHGAAKMT2A | |
| Iodide SCHEMBL7307306 | 0.82 | SORD (0.47) | HCRTR1HCRTR2TSHRGAAKMT2A | |
| Iodide SCHEMBL7305936 | 0.81 | NPC1 (0.40) | ALDH1A1L3MBTL1GAAKMT2A | |
| Hydrochloric Acid SCHEMBL7305474 | 0.80 | SORD (0.47) | TSHRGAAKMT2A | |
| SCHEMBL7340538 | 0.79 | NPC1 (0.41) | ALDH1A1L3MBTL1GAAKMT2A | |
| Iodide SCHEMBL7304275 | 0.78 | SORD (0.44) | HCRTR1HCRTR2TSHRGAAKMT2A | |
| Iodide SCHEMBL6501966 | 0.78 | PTGES (0.46) | — | |
| Bromide SCHEMBL6488073 | 0.78 | PIK3CB (0.38) | GABRPGABRDGABRA1GABRB1GABRG2 |
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 |