Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 8/20 | 0.54 |
| ▸ | CNR2 | P34972 | 6/20 | 0.54 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | RAD51 | Q06609 | 2/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14607902 | 1.00 | CNR1 (0.54) | CNR1CNR2NR3C2EGFRRAD51 | |
| SCHEMBL14607753 | 1.00 | CNR1 (0.54) | CNR1CNR2NR3C2EGFRRAD51 | |
| SCHEMBL14607903 | 0.99 | CNR1 (0.55) | CNR1CNR2NR3C2EGFRRAD51 | |
| SCHEMBL14607751 | 0.94 | CNR1 (0.60) | CNR1CNR2EGFR | |
| SCHEMBL5203058 | 0.94 | CNR1 (0.60) | CNR1CNR2EGFR | |
| Iodide SCHEMBL5161777 | 0.94 | CNR1 (0.59) | CNR1CNR2EGFR | |
| Iodide SCHEMBL5159287 | 0.94 | CNR1 (0.59) | CNR1CNR2EGFR | |
| Iodide SCHEMBL5157253 | 0.94 | CNR1 (0.59) | CNR1CNR2EGFR | |
| Iodide SCHEMBL5158760 | 0.94 | CNR1 (0.59) | CNR1CNR2EGFR | |
| SCHEMBL14607786 | 0.93 | CNR1 (0.61) | CNR1CNR2NR3C2EGFR |
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 1 patent. 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 |