Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.42 |
| ▸ | MTOR | P42345 | 8/20 | 0.38 |
| ▸ | PDE5A | O76074 | 2/20 | 0.38 |
| ▸ | PDE4A | P27815 | 2/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.38 |
| ▸ | GSK3A | P49840 | 1/20 | 0.38 |
| ▸ | TPH1 | P17752 | 2/20 | 0.36 |
| ▸ | TPH2 | Q8IWU9 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TLR7 | Q9NYK1 | 4/20 | 0.35 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7620828 | 0.97 | ADORA1 (0.45) | ADORA1ADORA2AADORA2BMTORPDE5A | |
| SCHEMBL7618352 | 0.96 | ADORA2A (0.46) | ADORA1ADORA2AADORA2BMTORPDE5A | |
| SCHEMBL7616696 | 0.95 | PDE5A (0.42) | ADORA1ADORA2AADORA2BMTORPDE5A | |
| SCHEMBL7269486 | 0.82 | PDE4A (0.59) | ADORA1ADORA2AADORA2BPDE5APDE4A | |
| SCHEMBL3179033 | 0.80 | ADORA1 (0.45) | ADORA1ADORA2AADORA2BMTORPDE5A | |
| SCHEMBL7624371 | 0.80 | ADORA2B (0.43) | ADORA1ADORA2AADORA2BMTORPDE5A | |
| SCHEMBL7269747 | 0.80 | PDE4A (0.59) | ADORA1ADORA2AADORA2BPDE5APDE4A | |
| SCHEMBL10977785 | 0.79 | ADORA2A (0.52) | ADORA1ADORA2AADORA2BMTORPIK3CA | |
| SCHEMBL7269993 | 0.79 | PDE4A (0.57) | ADORA1ADORA2AADORA2BPDE5APDE4A | |
| SCHEMBL3177231 | 0.77 | ADORA1 (0.48) | ADORA1ADORA2AADORA2BMTORPDE5A |
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-1030666-A4 | NOVEL USE OF COMPOUNDS FOR ANTI-PRURITIC ACTIVITY | SMITHKLINE BEECHAM (US) | 2002-10-16 | — | — | EP | disclosed |
| EP-1030666-A1 | NOVEL USE OF COMPOUNDS FOR ANTI-PRURITIC ACTIVITY | Smithkline Beecham (US) | 2000-08-30 | — | — | EP | disclosed |
| WO-1999020280-A1 | NOVEL USE OF COMPOUNDS FOR ANTI-PRURITIC ACTIVITY | SMITHKLINE BEECHAM CORPORATION (US) | 1999-04-29 | — | — | WO | disclosed |