Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 2/20 | 0.65 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.65 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.55 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.55 |
| ▸ | DRD2 | P14416 | 2/20 | 0.54 |
| ▸ | DRD4 | P21917 | 2/20 | 0.54 |
| ▸ | DRD3 | P35462 | 2/20 | 0.54 |
| ▸ | CNR1 | P21554 | 1/20 | 0.50 |
| ▸ | CNR2 | P34972 | 1/20 | 0.50 |
| ▸ | ACP1 | P24666 | 3/20 | 0.48 |
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | CASP4 | P49662 | 1/20 | 0.47 |
| ▸ | CASP5 | P51878 | 1/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.46 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.46 |
| ▸ | CHKA | P35790 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 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 SCHEMBL6578937 | 0.99 | ADORA2A (0.64) | ADORA2AADORA1NR1H2NR1H3DRD2 | |
| Hydrochloric Acid SCHEMBL6581231 | 0.98 | ADORA2A (0.63) | ADORA2AADORA1NR1H2NR1H3DRD2 | |
| SCHEMBL6578715 | 0.98 | ADORA2A (0.62) | ADORA2AADORA1NR1H2NR1H3DRD2 | |
| SCHEMBL6578236 | 0.94 | NR1H2 (0.61) | ADORA2AADORA1NR1H2NR1H3DRD2 | |
| Hydrochloric Acid SCHEMBL6578786 | 0.90 | ADORA2A (0.61) | ADORA2AADORA1NR1H2NR1H3DRD2 | |
| Hydrochloric Acid SCHEMBL6580717 | 0.90 | ADORA2A (0.64) | ADORA2AADORA1NR1H2NR1H3DRD2 | |
| SCHEMBL6581722 | 0.89 | ADORA2A (0.63) | ADORA2AADORA1NR1H2NR1H3DRD2 | |
| SCHEMBL6580836 | 0.89 | NR1H2 (0.55) | ADORA2AADORA1NR1H2NR1H3DRD2 | |
| SCHEMBL6582550 | 0.89 | NR1H2 (0.53) | ADORA2AADORA1NR1H2NR1H3DRD2 | |
| SCHEMBL6582971 | 0.89 | ADORA2A (0.52) | ADORA2AADORA1NR1H2NR1H3DRD2 |
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 3 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 | 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 |