Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 13/20 | 0.60 |
| ▸ | CNR2 | P34972 | 10/20 | 0.60 |
| ▸ | PDE5A | O76074 | 2/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.35 |
| ▸ | MLNR | O43193 | 1/20 | 0.35 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 1/20 | 0.35 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | HRH2 | P25021 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.35 |
| ▸ | CCKAR | P32238 | 1/20 | 0.35 |
| ▸ | CCKBR | P32239 | 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 | |
|---|---|---|---|---|
| SCHEMBL5203058 | 1.00 | CNR1 (0.60) | CNR1CNR2PDE5AEGFRABCC4 | |
| Iodide SCHEMBL5159287 | 0.99 | CNR1 (0.59) | CNR1CNR2PDE5AEGFRABCC4 | |
| Iodide SCHEMBL5157253 | 0.99 | CNR1 (0.59) | CNR1CNR2PDE5AEGFRABCC4 | |
| Iodide SCHEMBL5161777 | 0.99 | CNR1 (0.59) | CNR1CNR2PDE5AEGFRABCC4 | |
| Iodide SCHEMBL5158760 | 0.99 | CNR1 (0.59) | CNR1CNR2PDE5AEGFRABCC4 | |
| SCHEMBL14607786 | 0.99 | CNR1 (0.61) | CNR1CNR2PDE5AEGFR | |
| Iodide SCHEMBL5161983 | 0.98 | CNR1 (0.60) | CNR1CNR2PDE5AEGFR | |
| SCHEMBL5189145 | 0.95 | CNR1 (0.55) | CNR1CNR2CYP2C9GPR55 | |
| SCHEMBL14607753 | 0.94 | CNR1 (0.54) | CNR1CNR2EGFR | |
| SCHEMBL5368529 | 0.94 | CNR1 (0.54) | 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 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 |