Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 2/20 | 0.62 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.62 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.47 |
| ▸ | CNR1 | P21554 | 4/20 | 0.44 |
| ▸ | CNR2 | P34972 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | DRD4 | P21917 | 2/20 | 0.43 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.42 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 2/20 | 0.42 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.42 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | HTR7 | P34969 | 1/20 | 0.41 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | BTK | Q06187 | 1/20 | 0.41 |
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 SCHEMBL6583845 | 0.99 | ADORA2A (0.61) | ADORA2AADORA1S1PR1CNR1CNR2 | |
| Hydrochloric Acid SCHEMBL6580955 | 0.91 | ADORA2A (0.61) | ADORA2AADORA1S1PR1CNR1CNR2 | |
| Hydrochloric Acid SCHEMBL6580754 | 0.91 | ADORA2A (0.66) | ADORA2AADORA1S1PR1CNR1CNR2 | |
| SCHEMBL6578503 | 0.88 | ADORA2A (0.62) | ADORA2AADORA1S1PR1CNR1CNR2 | |
| Hydrochloric Acid SCHEMBL6580863 | 0.87 | ADORA2A (0.61) | ADORA2AADORA1S1PR1CNR1CNR2 | |
| Hydrochloric Acid SCHEMBL6582961 | 0.87 | ADORA2A (0.61) | ADORA2AADORA1S1PR1CNR1CNR2 | |
| Hydrochloric Acid SCHEMBL6580626 | 0.85 | ADORA2A (0.54) | ADORA2AADORA1S1PR1CNR1CNR2 | |
| Hydrochloric Acid SCHEMBL6578773 | 0.85 | ADORA2A (0.58) | ADORA2AADORA1S1PR1CNR1CNR2 | |
| Hydrochloric Acid SCHEMBL6578211 | 0.85 | ADORA2A (0.58) | ADORA2AADORA1S1PR1ALDH1A1DRD4 | |
| SCHEMBL6583869 | 0.85 | ADORA2A (0.65) | ADORA2AADORA1S1PR1CNR1CNR2 |
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 |