Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | NAAA | Q02083 | 2/20 | 0.32 |
| ▸ | HTR2A | P28223 | 2/20 | 0.32 |
| ▸ | HTR7 | P34969 | 2/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | HTR6 | P50406 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | DRD4 | P21917 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7492829 | 0.84 | NR1I2 (0.41) | NR1I2CYP3A4CYP2D6HTR2AHTR7 | |
| SCHEMBL7495501 | 0.84 | NR1I2 (0.41) | NR1I2CYP3A4CYP2D6HTR2AHTR7 | |
| SCHEMBL5089005 | 0.78 | NR1I2 (0.45) | NR1I2CYP3A4CYP2D6ADRA1ADRD2 | |
| SCHEMBL5088906 | 0.78 | NR1I2 (0.45) | NR1I2CYP3A4CYP2D6HTR2AHTR7 | |
| SCHEMBL5092827 | 0.77 | NR1I2 (0.44) | NR1I2CYP3A4CYP2D6DRD2DRD4 | |
| SCHEMBL5088987 | 0.73 | NR1I2 (0.44) | NR1I2CYP3A4CYP2D6DRD2DRD4 | |
| SCHEMBL14191680 | 0.72 | RAB9A (0.44) | — | |
| SCHEMBL5098199 | 0.69 | NR1I2 (0.39) | NR1I2CYP3A4CYP2D6DRD2DRD4 | |
| SCHEMBL5099362 | 0.68 | NR1I2 (0.39) | NR1I2CYP3A4CYP2D6ADRA1ADRD2 | |
| SCHEMBL5088999 | 0.67 | NR1I2 (0.42) | NR1I2CYP3A4CYP2D6DRD2DRD4 |
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-1214317-A1 | ANTIVIRAL AGENTS | BIOTA SCIENTIFIC MANAGEMENT PTY. LTD. (AU) | 2002-06-19 | — | — | EP | disclosed |
| WO-2001019822-A1 | ANTIVIRAL AGENTS | BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) | 2001-03-22 | — | — | WO | disclosed |