Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.68 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.68 |
| ▸ | DRD4 | P21917 | 3/20 | 0.47 |
| ▸ | DRD2 | P14416 | 2/20 | 0.47 |
| ▸ | DRD3 | P35462 | 2/20 | 0.47 |
| ▸ | AVPR1B | P47901 | 3/20 | 0.44 |
| ▸ | NR1H2 | P55055 | 3/20 | 0.44 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.42 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | ACP1 | P24666 | 2/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
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 SCHEMBL6580643 | 0.99 | ADORA2A (0.67) | ADORA2AADORA1DRD4DRD2DRD3 | |
| SCHEMBL6578508 | 0.89 | ADORA2A (0.55) | ADORA2AADORA1DRD4DRD2DRD3 | |
| Hydrochloric Acid SCHEMBL6578595 | 0.88 | ADORA2A (0.54) | ADORA2AADORA1DRD4DRD2DRD3 | |
| Hydrochloric Acid SCHEMBL6578615 | 0.84 | DRD2 (0.51) | ADORA2AADORA1DRD4DRD2DRD3 | |
| SCHEMBL6584053 | 0.81 | ACP1 (0.46) | ADORA2AADORA1AVPR1BNR1H2NR1H3 | |
| Hydrochloric Acid SCHEMBL6580533 | 0.80 | ACP1 (0.45) | ADORA2AADORA1AVPR1BNR1H2NR1H3 | |
| SCHEMBL6582924 | 0.78 | ADORA1 (0.44) | ADORA2AADORA1DRD4DRD2DRD3 | |
| SCHEMBL6578760 | 0.77 | AVPR1B (0.51) | DRD4DRD2DRD3AVPR1BNR1H2 | |
| SCHEMBL6581649 | 0.77 | NR1H2 (0.51) | ADORA2AADORA1NR1H2NR1H3NPC1 | |
| SCHEMBL6580836 | 0.76 | NR1H2 (0.55) | ADORA2AADORA1DRD4DRD2DRD3 |
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 |