Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 8/20 | 0.62 |
| ▸ | GLA | P06280 | 1/20 | 0.60 |
| ▸ | BLM | P54132 | 1/20 | 0.60 |
| ▸ | ACHE | P22303 | 2/20 | 0.58 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.58 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.58 |
| ▸ | CNR1 | P21554 | 1/20 | 0.58 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.58 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.58 |
| ▸ | MC3R | P41968 | 1/20 | 0.58 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.58 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.58 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.58 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.58 |
| ▸ | PDE4A | P27815 | 2/20 | 0.55 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.55 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.55 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL19607700 | 0.94 | ADORA2B (0.59) | ADORA2BGLABLMACHEADORA2A | |
| SCHEMBL18819714 | 0.94 | ADORA2B (0.59) | ADORA2BGLABLMACHEADORA2A | |
| SCHEMBL17682167 | 0.93 | ADORA2B (0.58) | ADORA2BGLABLMACHEADORA2A | |
| SCHEMBL5935791 | 0.93 | ADORA2B (0.58) | ADORA2BGLABLMACHEADORA2A | |
| SCHEMBL18256621 | 0.91 | ADORA2B (0.60) | ADORA2BGLABLMACHEADORA2A | |
| SCHEMBL18256600 | 0.91 | ADORA2B (0.55) | ADORA2BGLABLMACHEADORA2A | |
| SCHEMBL18819653 | 0.90 | ADORA2B (0.60) | ADORA2BGLABLMACHEADORA2A | |
| SCHEMBL17682169 | 0.90 | ADORA2B (0.60) | ADORA2BGLABLMACHEADORA2A | |
| SCHEMBL7392224 | 0.90 | PDE4A (0.61) | ADORA2BBLMADORA2APDE4APDE4B | |
| SCHEMBL19601315 | 0.89 | ADORA2B (0.53) | ADORA2BGLABLMACHEADORA2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-55136281-A | — | — | None | — | — | JP | disclosed |
| EP-0369744-B1 | Xanthine derivatives, process for their preparation and pharmaceutical compositions | SMITHKLINE BEECHAM PHARMA GMBH (DE) | 1994-09-21 | — | — | EP | disclosed |
| US-5321029-A | Vascular and skin disorders; bronchodilator | BEECHAM-WUELFING GMBH & CO.K.G. (DE) | 1994-06-14 | — | — | US | disclosed |
| EP-0369744-A2 | Xanthine derivatives, process for their preparation and pharmaceutical compositions | SMITHKLINE BEECHAM PHARMA GmbH (DE) | 1990-05-23 | — | — | EP | disclosed |
| JP-S55136281-A | XANTHINE DERIVATIVE | GRELAN PHARMACEUT CO LTD | 1980-10-23 | — | — | JP | disclosed |