Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 16/20 | 0.44 |
| ▸ | CNR2 | P34972 | 14/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL5163303 | 0.99 | CNR1 (0.43) | CNR1CNR2KDM4EALDH1A1HPGD | |
| SCHEMBL5593693 | 0.91 | CNR1 (0.45) | CNR1CNR2KDM4EALDH1A1HPGD | |
| Iodide SCHEMBL5156325 | 0.90 | CNR1 (0.45) | CNR1CNR2KDM4EALDH1A1HPGD | |
| SCHEMBL5593617 | 0.89 | CNR1 (0.45) | CNR1CNR2 | |
| Iodide SCHEMBL5156504 | 0.88 | CNR1 (0.44) | CNR1CNR2 | |
| SCHEMBL5176721 | 0.85 | CNR1 (0.54) | CNR1CNR2 | |
| SCHEMBL14607751 | 0.85 | CNR1 (0.60) | CNR1CNR2 | |
| SCHEMBL5203058 | 0.85 | CNR1 (0.60) | CNR1CNR2 | |
| Iodide SCHEMBL5162431 | 0.84 | CNR1 (0.54) | CNR1CNR2 | |
| Iodide SCHEMBL5161796 | 0.84 | CNR1 (0.54) | CNR1CNR2 |
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 2 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 | disclosed |
| 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 | disclosed |