Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 9/20 | 0.96 |
| ▸ | ADORA2A | P29274 | 6/20 | 0.96 |
| ▸ | ADORA3 | P0DMS8 | 7/20 | 0.62 |
| ▸ | PDE4A | P27815 | 4/20 | 0.62 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.62 |
| ▸ | PDE4C | Q08493 | 4/20 | 0.62 |
| ▸ | PDE4D | Q08499 | 4/20 | 0.62 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.50 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.49 |
| ▸ | ALPL | P05186 | 1/20 | 0.49 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.49 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | BLM | P54132 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| 1-Methylxanthine SCHEMBL10996 | 0.98 | ADORA2B (1.00) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| 1-Methylxanthine SCHEMBL27529726 | 0.96 | ADORA2B (0.96) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| 1-Methylxanthine SCHEMBL28309011 | 0.96 | ADORA2B (0.96) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| 1-Methylxanthine SCHEMBL28460409 | 0.90 | ADORA2B (0.84) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| 1-Methylxanthine SCHEMBL16859909 | 0.88 | ADORA2B (0.79) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| 1-Methylxanthine SCHEMBL29001829 | 0.88 | ADORA2B (0.79) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| 3-Methylxanthine SCHEMBL1892894 | 0.86 | ADORA2B (0.77) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| Theophylline Anhydrous SCHEMBL1128138 | 0.86 | ADORA2A (0.77) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| 1-Methylxanthine SCHEMBL7270651 | 0.86 | ADORA2B (0.77) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| 1-Methylxanthine SCHEMBL27663813 | 0.86 | ADORA2B (0.77) | ADORA2BADORA2AADORA3PDE4APDE4B |
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 |
|---|---|---|---|---|---|---|---|
| EP-0488079-A1 | Oxadiazolylmethylpurines, their preparation, and their pharmaceutical use | CHINOIN Gyògyszer és Vegyészeti Termékek Gyára RT. (HU) | 1992-06-03 | — | — | EP | disclosed |