Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 4/20 | 0.49 |
| ▸ | ADORA2A | P29274 | 6/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | TBK1 | Q9UHD2 | 2/20 | 0.37 |
| ▸ | DHFR | P00374 | 1/20 | 0.37 |
| ▸ | MELK | Q14680 | 2/20 | 0.36 |
| ▸ | TDO2 | P48775 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | ATR | Q13535 | 1/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 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 | |
|---|---|---|---|---|
| SCHEMBL20576697 | 0.81 | ADORA2A (0.53) | ADORA2AADORA3ADORA2BADORA1TDO2 | |
| SCHEMBL15904189 | 0.80 | PDE10A (0.72) | PDE10AADORA2AADORA3ADORA2BADORA1 | |
| SCHEMBL28042494 | 0.76 | LMNA (0.42) | PDE10AADORA2AADORA3ADORA2BADORA1 | |
| SCHEMBL15904208 | 0.72 | PDE10A (0.50) | PDE10AADORA2AADORA3ADORA2BADORA1 | |
| SCHEMBL27992037 | 0.68 | ADORA2A (0.60) | ADORA2AADORA3ADORA2BADORA1DHFR | |
| SCHEMBL28042544 | 0.68 | PDE10A (0.45) | PDE10AADORA2AADORA3ADORA1MELK | |
| SCHEMBL15904243 | 0.66 | PDE10A (1.00) | PDE10AADORA2AADORA3ADORA2BADORA1 | |
| SCHEMBL27992067 | 0.66 | ADORA2A (0.46) | ADORA2AADORA3ADORA2BADORA1DHFR | |
| SCHEMBL27992032 | 0.66 | ADORA2A (0.58) | PDE10AADORA2AADORA3ADORA2BADORA1 | |
| SCHEMBL15904348 | 0.65 | PDE10A (0.78) | PDE10AADORA2AADORA3ADORA2BADORA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105008346-A | Novel pyrimidine derivatives as phosphodiesterase 10(PDE-10) inhibitors | PALOBIOFARMA SL | 2015-10-28 | — | — | CN | claimed |
| CN-105008346-A | Novel pyrimidine derivatives as phosphodiesterase 10(PDE-10) inhibitors | PALOBIOFARMA SL | 2015-10-28 | — | — | CN | disclosed |