Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.55 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.55 |
| ▸ | DRD2 | P14416 | 2/20 | 0.52 |
| ▸ | DRD4 | P21917 | 2/20 | 0.52 |
| ▸ | DRD3 | P35462 | 2/20 | 0.52 |
| ▸ | ACP1 | P24666 | 4/20 | 0.50 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.50 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.49 |
| ▸ | AVPR1B | P47901 | 3/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.47 |
| ▸ | CNR1 | P21554 | 1/20 | 0.46 |
| ▸ | CNR2 | P34972 | 1/20 | 0.46 |
| ▸ | CHKA | P35790 | 1/20 | 0.46 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.45 |
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 SCHEMBL6578595 | 0.99 | ADORA2A (0.54) | ADORA2AADORA1DRD2DRD4DRD3 | |
| Hydrochloric Acid SCHEMBL6578615 | 0.95 | DRD2 (0.51) | ADORA2AADORA1DRD2DRD4DRD3 | |
| SCHEMBL6578571 | 0.89 | ADORA2A (0.68) | ADORA2AADORA1DRD2DRD4DRD3 | |
| Hydrochloric Acid SCHEMBL6580643 | 0.88 | ADORA2A (0.67) | ADORA2AADORA1DRD2DRD4DRD3 | |
| SCHEMBL6578760 | 0.87 | AVPR1B (0.51) | DRD2DRD4DRD3ACP1HRH3 | |
| Hydrochloric Acid SCHEMBL6581009 | 0.86 | AVPR1B (0.50) | DRD2DRD4DRD3ACP1HRH3 | |
| Hydrochloric Acid SCHEMBL6578233 | 0.85 | NR1H3 (0.62) | DRD2DRD4DRD3ACP1TMEM97 | |
| Hydrochloric Acid SCHEMBL6580767 | 0.85 | AVPR1B (0.56) | DRD2DRD4DRD3ACP1AVPR1B | |
| Hydrochloric Acid SCHEMBL6581333 | 0.83 | AVPR1B (0.47) | DRD2DRD4DRD3ACP1HRH3 | |
| Hydrochloric Acid SCHEMBL6580578 | 0.82 | NR1H3 (0.54) | DRD2DRD4DRD3ACP1TMEM97 |
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 |