Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AVPR1B | P47901 | 6/20 | 0.51 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.50 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.50 |
| ▸ | DRD2 | P14416 | 1/20 | 0.50 |
| ▸ | DRD4 | P21917 | 1/20 | 0.50 |
| ▸ | DRD3 | P35462 | 1/20 | 0.50 |
| ▸ | ACP1 | P24666 | 3/20 | 0.46 |
| ▸ | TGM2 | P21980 | 1/20 | 0.45 |
| ▸ | TGM1 | P22735 | 1/20 | 0.45 |
| ▸ | CASP3 | P42574 | 1/20 | 0.45 |
| ▸ | TGM3 | Q08188 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.45 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.45 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6581009 | 0.99 | AVPR1B (0.50) | AVPR1BNR1H3NR1H2DRD2DRD4 | |
| Hydrochloric Acid SCHEMBL6580578 | 0.95 | NR1H3 (0.54) | AVPR1BNR1H3NR1H2DRD2DRD4 | |
| Hydrochloric Acid SCHEMBL6578233 | 0.90 | NR1H3 (0.62) | AVPR1BNR1H3NR1H2DRD2DRD4 | |
| SCHEMBL6578508 | 0.87 | ADORA2A (0.55) | AVPR1BDRD2DRD4DRD3ACP1 | |
| Hydrochloric Acid SCHEMBL6580767 | 0.87 | AVPR1B (0.56) | AVPR1BNR1H3NR1H2DRD2DRD4 | |
| Hydrochloric Acid SCHEMBL6581333 | 0.87 | AVPR1B (0.47) | AVPR1BNR1H3NR1H2DRD2DRD4 | |
| Hydrochloric Acid SCHEMBL6578595 | 0.86 | ADORA2A (0.54) | AVPR1BDRD2DRD4DRD3ACP1 | |
| Hydrochloric Acid SCHEMBL6584023 | 0.86 | NR1H3 (0.68) | AVPR1BNR1H3NR1H2DRD2DRD4 | |
| SCHEMBL17280134 | 0.84 | NR1H3 (0.57) | AVPR1BNR1H3NR1H2TGM2TGM1 | |
| Hydrochloric Acid SCHEMBL6581135 | 0.83 | NR1H2 (0.56) | AVPR1BNR1H3NR1H2DRD2DRD4 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1070708-B1 | Triazole derivatives | HOFFMANN LA ROCHE (CH) | 2004-01-14 | — | — | EP | claimed |
| US-6265426-B1 | CENTRAL NERVOUS SYSTEM DISORDERS | HOFFMANN-LA ROCHE INC. | 2001-07-24 | — | — | US | claimed |
| EP-1070708-A1 | Triazole and imidazole derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2001-01-24 | — | — | EP | claimed |
| EP-1070708-B1 | Triazole derivatives | HOFFMANN LA ROCHE (CH) | 2004-01-14 | — | — | EP | disclosed |
| US-6265426-B1 | CENTRAL NERVOUS SYSTEM DISORDERS | HOFFMANN-LA ROCHE INC. | 2001-07-24 | — | — | US | disclosed |
| EP-1070708-A1 | Triazole and imidazole derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2001-01-24 | — | — | EP | disclosed |