Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 2/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.44 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.44 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | LCK | P06239 | 2/20 | 0.43 |
| ▸ | BTK | Q06187 | 2/20 | 0.43 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.41 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.41 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.41 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.41 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.41 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.38 |
| ▸ | FPR2 | P25090 | 2/20 | 0.38 |
| ▸ | GRK6 | P43250 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6581500 | 0.80 | NR1H2 (0.57) | ADORA2AADORA1NR1H2NR1H3S1PR1 | |
| SCHEMBL6581499 | 0.79 | NR1H2 (0.50) | ADORA2AADORA1NR1H2NR1H3KDM4E | |
| SCHEMBL6581611 | 0.78 | ADORA2A (0.58) | ADORA2AADORA1NR1H2NR1H3MEN1 | |
| SCHEMBL6580842 | 0.77 | NR1H2 (0.43) | ADORA2AADORA1NR1H2NR1H3S1PR1 | |
| SCHEMBL28095606 | 0.77 | KDM4E (0.55) | ADORA2AADORA1NR1H2NR1H3KDM4E | |
| SCHEMBL28095608 | 0.75 | DCUN1D1 (0.51) | ADORA2AADORA1KDM4EHSD17B10PSEN1 | |
| SCHEMBL6580942 | 0.75 | HTR7 (0.46) | ADORA2AADORA1NR1H2NR1H3KDM4E | |
| Hydrochloric Acid SCHEMBL6581027 | 0.74 | HTR7 (0.46) | ADORA2AADORA1NR1H2NR1H3KDM4E | |
| SCHEMBL6578503 | 0.74 | ADORA2A (0.62) | ADORA2AADORA1NR1H2NR1H3LCK | |
| SCHEMBL15117081 | 0.73 | NR1H2 (0.63) | ADORA2AADORA1NR1H2NR1H3KDM4E |
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 |