Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.38 |
| ▸ | PDE4A | P27815 | 2/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.35 |
| ▸ | HRH2 | P25021 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20621621 | 0.92 | PAK1 (0.38) | HRH3ADORA2AADORA3PDE4APDE4B | |
| SCHEMBL13361156 | 0.92 | PAK1 (0.38) | HRH3ADORA2AADORA3PDE4APDE4B | |
| SCHEMBL12844533 | 0.89 | — | — | |
| SCHEMBL10728091 | 0.79 | HRH3 (0.47) | HRH3ADORA2AADORA3HRH2HRH1 | |
| SCHEMBL256090 | 0.78 | — | — | |
| 4-Methylhistamine SCHEMBL11452941 | 0.77 | — | — | |
| SCHEMBL5157739 | 0.77 | — | — | |
| SCHEMBL11052457 | 0.74 | PAK1 (0.41) | PAK1LMNAXDHCDK1CCNB1 | |
| SCHEMBL721194 | 0.73 | HRH3 (0.41) | HRH3ADORA2BHRH2HRH1HRH4 | |
| SCHEMBL19938003 | 0.73 | NUDT1 (0.36) | HRH3HRH2HRH1HRH4TDP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011036885-A1 | HETEROCYCLIC COMPOUND | 武田薬品工業株式会社 (JP) | 2011-03-31 | — | — | WO | disclosed |