Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 8/20 | 0.52 |
| ▸ | PDE4A | P27815 | 7/20 | 0.52 |
| ▸ | PDE4B | Q07343 | 7/20 | 0.52 |
| ▸ | PDE4C | Q08493 | 7/20 | 0.52 |
| ▸ | PDE4D | Q08499 | 7/20 | 0.52 |
| ▸ | ADORA2B | P29275 | 6/20 | 0.52 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.52 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | BLM | P54132 | 1/20 | 0.52 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.49 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.48 |
| ▸ | ALPL | P05186 | 1/20 | 0.48 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | PNP | P00491 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| 3-Methylxanthine SCHEMBL237146 | 0.88 | ADORA2A (0.64) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| 3-Methylxanthine SCHEMBL30753411 | 0.86 | ADORA2A (0.62) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| 3-Methylxanthine SCHEMBL9317914 | 0.86 | ADORA2A (0.62) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| 3-Methylxanthine SCHEMBL4020124 | 0.86 | ADORA2A (0.62) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| 3-Methylxanthine SCHEMBL2791774 | 0.78 | ADORA2A (0.58) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| 3-Methylxanthine SCHEMBL1892894 | 0.77 | ADORA2B (0.77) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| Theobromine SCHEMBL4024314 | 0.76 | MAPK1 (0.75) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL17164064 | 0.75 | ATAD2 (0.51) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| Caffeine SCHEMBL17748263 | 0.74 | ADORA2A (0.61) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL17748262 | 0.72 | CYP3A4 (0.63) | ADORA2APDE4APDE4BPDE4CPDE4D |
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-2009089677-A1 | THEOBROMINE PRODUCTION PROCESS | PERRIGO TRADING (SHANGHAI) CO., LTD. (CN) | 2009-07-23 | — | — | WO | disclosed |