Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.63 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.63 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.54 |
| ▸ | CNR1 | P21554 | 3/20 | 0.52 |
| ▸ | CNR2 | P34972 | 3/20 | 0.52 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.50 |
| ▸ | DRD2 | P14416 | 4/20 | 0.45 |
| ▸ | DRD4 | P21917 | 2/20 | 0.45 |
| ▸ | DRD3 | P35462 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.45 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 2/20 | 0.42 |
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 SCHEMBL6578605 | 0.99 | ADORA2A (0.62) | ADORA2AADORA1S1PR1CNR1CNR2 | |
| SCHEMBL6583869 | 0.89 | ADORA2A (0.65) | ADORA2AADORA1S1PR1CNR1CNR2 | |
| Hydrochloric Acid SCHEMBL6578937 | 0.88 | ADORA2A (0.64) | ADORA2AADORA1S1PR1CNR1CNR2 | |
| Hydrochloric Acid SCHEMBL6581231 | 0.88 | ADORA2A (0.63) | ADORA2AADORA1S1PR1CNR1CNR2 | |
| SCHEMBL6578715 | 0.87 | ADORA2A (0.62) | ADORA2AADORA1CNR1CNR2DRD2 | |
| Hydrochloric Acid SCHEMBL6578576 | 0.86 | ADORA2A (0.61) | ADORA2AADORA1S1PR1CNR1CNR2 | |
| SCHEMBL6582919 | 0.84 | ADORA2A (0.62) | ADORA2AADORA1S1PR1CNR1CNR2 | |
| Hydrochloric Acid SCHEMBL6582805 | 0.84 | ADORA2A (0.69) | ADORA2AADORA1S1PR1CNR1CNR2 | |
| Hydrochloric Acid SCHEMBL6580998 | 0.84 | ADORA2A (0.61) | ADORA2AADORA1S1PR1CNR1CNR2 | |
| Hydrochloric Acid SCHEMBL6581094 | 0.84 | ADORA2A (0.61) | 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 |