Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 9/20 | 0.62 |
| ▸ | PDE4A | P27815 | 8/20 | 0.62 |
| ▸ | PDE4B | Q07343 | 8/20 | 0.62 |
| ▸ | PDE4C | Q08493 | 8/20 | 0.62 |
| ▸ | PDE4D | Q08499 | 8/20 | 0.62 |
| ▸ | ADORA2B | P29275 | 6/20 | 0.62 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.62 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.62 |
| ▸ | HPGD | P15428 | 1/20 | 0.62 |
| ▸ | BLM | P54132 | 1/20 | 0.62 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.62 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.54 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.53 |
| ▸ | ALPL | P05186 | 1/20 | 0.53 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.53 |
| ▸ | PNP | P00491 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| 3-Methylxanthine SCHEMBL30753411 | 1.00 | ADORA2A (0.62) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| 3-Methylxanthine SCHEMBL237146 | 0.98 | ADORA2A (0.64) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| 3-Methylxanthine SCHEMBL4020124 | 0.96 | ADORA2A (0.62) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| 3-Methylxanthine SCHEMBL2791774 | 0.88 | ADORA2A (0.58) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| 3-Methylxanthine SCHEMBL1892894 | 0.86 | ADORA2B (0.77) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| 3-Methylxanthine SCHEMBL4018085 | 0.86 | ADORA2A (0.52) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| Theobromine SCHEMBL4024314 | 0.85 | MAPK1 (0.75) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL17164064 | 0.84 | ATAD2 (0.51) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL864455 | 0.80 | ADORA2A (0.58) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| Caffeine SCHEMBL17748263 | 0.80 | ADORA2A (0.61) | 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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102329317-B | Method for synthesizing theobromine | SHIJIAZHUANG PHARMACEUTICAL INVOVATION CO LTD | 2013-06-05 | — | — | CN | disclosed |
| CN-102329317-A | Method for synthesizing theobromine | SHIJIAZHUANG PHARMACEUTICAL INVOVATION CO LTD | 2012-01-25 | — | — | CN | disclosed |
| CN-101220032-B | Novel method for producing theobromine with 3_methylxanthine disodium salt methylating | BAILIGAO TRADE SHANGHAI CO LTD | 2010-06-02 | — | — | CN | disclosed |
| CN-101220032-A | Novel method for producing theobromine with 3_methylxanthine disodium salt methylating | SHANDONG XINHUA PHARMACEUTICAL (CN) | 2008-07-16 | — | — | CN | disclosed |
| EP-0264081-B1 | Oxadiazolyl alkyl purin derivatives, their preparation and their use in pharmaceutical compositions | CHINOIN GYOGYSZER ES VEGYESZET (HU) | 1994-01-05 | — | — | EP | disclosed |
| CN-1018644-B | Process for preparation of oxadiazole-alkyl-purine derivatives | CHINOIN GYOGYSZER ES VEGYESZET (HU) | 1992-10-14 | — | — | CN | disclosed |
| US-4840949-A | Oxadiazole-alkyl-purine derivatives useful as antitussive agents | CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) | 1989-06-20 | — | — | US | disclosed |
| CN-87107785-A | OXADIAZOLE-ALKYL-PURINE DERIVATIVES | — | 1988-07-20 | — | — | CN | disclosed |
| EP-0264081-A2 | Oxadiazolyl alkyl purin derivatives, their preparation and their use in pharmaceutical compositions | CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) | 1988-04-20 | — | — | EP | disclosed |
| EP-0157098-A1 | Xanthine derivatives, pharmaceuticals compositions containing them and a process for their preparation | Beecham Wuelfing GmbH & Co KG (DE) | 1985-10-09 | — | — | EP | disclosed |
| US-4372959-A | TREATMENT OF PERIPHERAL VASCULAR DISEASE | BEECHAM-WULFING GMBH & CO. KG (DE) | 1983-02-08 | — | — | US | disclosed |
| EP-0042706-A2 | Xanthine derivatives, pharmaceutical compositions containing them and a process for their preparation | BEECHAM - WUELFING GmbH & Co. KG (DE) | 1981-12-30 | — | — | EP | disclosed |