Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE3B | Q13370 | 12/20 | 0.45 |
| ▸ | PDE3A | Q14432 | 12/20 | 0.45 |
| ▸ | PDE2A | O00408 | 9/20 | 0.45 |
| ▸ | P2RY12 | Q9H244 | 4/20 | 0.42 |
| ▸ | MTOR | P42345 | 1/20 | 0.40 |
| ▸ | NUDT1 | P36639 | 2/20 | 0.39 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13194946 | 0.78 | PDE3B (0.48) | PDE3BPDE3APDE2AP2RY12MTOR | |
| SCHEMBL20157656 | 0.72 | TYRO3 (0.49) | PDE3BPDE3APDE2AP2RY12 | |
| SCHEMBL29349996 | 0.71 | PDE3B (0.47) | PDE3BPDE3APDE2AP2RY12ADORA2A | |
| SCHEMBL12830376 | 0.71 | PDE3B (0.47) | PDE3BPDE3APDE2AP2RY12ADORA2A | |
| SCHEMBL10006861 | 0.71 | PDE3B (0.47) | PDE3BPDE3APDE2AP2RY12ADORA2A | |
| SCHEMBL30011988 | 0.69 | ADORA2B (0.45) | PDE3AADORA2AADORA2BGRIN1GRIN2B | |
| SCHEMBL10006551 | 0.69 | DUT (0.44) | PDE3BPDE3APDE2AP2RY12GAA | |
| SCHEMBL30358089 | 0.69 | PDE3B (0.49) | PDE3BPDE3APDE2AP2RY12ADORA2A | |
| SCHEMBL31465468 | 0.69 | XDH (0.41) | PDE3BPDE3APDE2AP2RY12TLR7 | |
| SCHEMBL20157464 | 0.68 | TSHR (0.36) | NUDT1TLR7CYP1A2ALDH1A1 |
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-2018086593-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PREPARATION METHOD, INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND USE | 礼沃（上海）医药科技有限公司 | 2018-05-17 | — | — | WO | disclosed |