Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNP | P00491 | 2/20 | 0.54 |
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.51 |
| ▸ | PDE4A | P27815 | 2/20 | 0.45 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.45 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.45 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.45 |
| ▸ | MPO | P05164 | 1/20 | 0.44 |
| ▸ | TPO | P07202 | 1/20 | 0.44 |
| ▸ | ACP1 | P24666 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.42 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17814735 | 0.81 | PNP (0.57) | PNPPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL562099 | 0.75 | ADORA2B (0.59) | PDE4APDE4BPDE4CPDE4DADORA3 | |
| SCHEMBL28911354 | 0.74 | PNP (0.35) | PNPATMAPOBEC3GPDE4APDE4B | |
| SCHEMBL17814682 | 0.74 | BRD4 (0.60) | ATMAPOBEC3GKMT2AP2RX3MEN1 | |
| SCHEMBL7681629 | 0.73 | PNP (0.80) | PNPPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL3241382 | 0.72 | PDE4A (0.71) | PDE4APDE4BPDE4CPDE4DADORA3 | |
| SCHEMBL30804835 | 0.71 | ATM (0.52) | ATMAPOBEC3GKMT2AP2RX3MEN1 | |
| SCHEMBL17814707 | 0.71 | ATM (0.49) | ATMAPOBEC3GKMT2AMEN1ALDH1A1 | |
| SCHEMBL9983147 | 0.71 | ATM (0.60) | ATMAPOBEC3GKMT2AP2RX3TLR7 | |
| SCHEMBL7682667 | 0.71 | PNP (0.60) | PNPPDE4APDE4BPDE4CPDE4D |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112409331-B | Heterocyclic derivative inhibitor, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2024-02-20 | — | — | CN | disclosed |
| CN-112409331-A | Heterocyclic derivative inhibitor, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2021-02-26 | — | — | CN | disclosed |
| WO-2017209267-A1 | PURINE DERIVATIVE | 塩野義製薬株式会社 | 2017-12-07 | — | — | WO | disclosed |
| WO-2016088838-A1 | PURINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION THEREOF | 塩野義製薬株式会社 | 2016-06-09 | — | — | WO | disclosed |