Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 8/20 | 0.51 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | TNF | P01375 | 4/20 | 0.47 |
| ▸ | ACHE | P22303 | 2/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | PDE4A | P27815 | 1/20 | 0.47 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.47 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.47 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.47 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.47 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL19245909 | 1.00 | ADORA2B (0.51) | ADORA2BGLABLMTNFACHE | |
| SCHEMBL17682135 | 1.00 | ADORA2B (0.51) | ADORA2BGLABLMTNFACHE | |
| SCHEMBL19582755 | 0.91 | ADORA2B (0.51) | ADORA2BGLABLMTNFACHE | |
| SCHEMBL17682236 | 0.90 | ADORA2B (0.50) | ADORA2BGLABLMTNFACHE | |
| SCHEMBL17682234 | 0.90 | ADORA2B (0.50) | ADORA2BGLABLMTNFACHE | |
| SCHEMBL18819074 | 0.90 | ADORA2B (0.50) | ADORA2BGLABLMTNFACHE | |
| SCHEMBL18819576 | 0.90 | ADORA2B (0.50) | ADORA2BGLABLMTNFACHE | |
| SCHEMBL17682162 | 0.90 | ADORA2B (0.50) | ADORA2BGLABLMTNFACHE | |
| SCHEMBL17682286 | 0.90 | ADORA2B (0.50) | ADORA2BGLABLMTNFACHE | |
| SCHEMBL17682260 | 0.90 | ADORA2B (0.50) | ADORA2BGLABLMTNFACHE |
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-3205652-A1 | HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF | Medshine Discovery Inc. (CN) | 2017-08-16 | — | — | EP | disclosed |
| WO-2017071606-A1 | MEDICAL USE OF HYDROXYL PURINE COMPOUND | 南京明德新药研发股份有限公司 | 2017-05-04 | — | — | WO | disclosed |
| WO-2016054971-A1 | HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF | 南京明德新药研发股份有限公司 | 2016-04-14 | — | — | WO | disclosed |