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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 12/20 | 0.54 |
| ▸ | CNR2 | P34972 | 6/20 | 0.54 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.35 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.35 |
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 SCHEMBL5161796 | 1.00 | CNR1 (0.54) | CNR1CNR2EGFRRAD51GABRA2 | |
| SCHEMBL5176721 | 0.99 | CNR1 (0.54) | CNR1CNR2EGFRRAD51GABRA2 | |
| Iodide SCHEMBL5158549 | 0.99 | CNR1 (0.54) | CNR1CNR2EGFRRAD51GABRA2 | |
| SCHEMBL14607697 | 0.98 | CNR1 (0.55) | CNR1CNR2EGFRRAD51GABRA2 | |
| Iodide SCHEMBL5158760 | 0.94 | CNR1 (0.59) | CNR1CNR2EGFR | |
| Iodide SCHEMBL5157253 | 0.94 | CNR1 (0.59) | CNR1CNR2EGFR | |
| Iodide SCHEMBL5161777 | 0.94 | CNR1 (0.59) | CNR1CNR2EGFR | |
| Iodide SCHEMBL5159287 | 0.94 | CNR1 (0.59) | CNR1CNR2EGFR | |
| SCHEMBL14607751 | 0.94 | CNR1 (0.60) | CNR1CNR2EGFR | |
| Iodide SCHEMBL5161983 | 0.94 | CNR1 (0.60) | CNR1CNR2EGFR |
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-1749821-A1 | Quaternary ammonium salts of substituted pyrazoline compounds, their preparation and use as medicaments | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2007-02-07 | — | — | EP | claimed |
| WO-2007009697-A1 | QUATERNARY AMMONIUM SALTS OF SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2007-01-25 | — | — | WO | claimed |
| EP-1749821-A1 | Quaternary ammonium salts of substituted pyrazoline compounds, their preparation and use as medicaments | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2007-02-07 | — | — | EP | disclosed |