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 SCHEMBL237146 | 0.98 | ADORA2A (0.64) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| 3-Methylxanthine SCHEMBL30753411 | 0.96 | ADORA2A (0.62) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| 3-Methylxanthine SCHEMBL9317914 | 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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101896484-B | Theobromine production process | PERRIGO TRADING SHANGHAI CO LT | 2013-06-12 | — | — | CN | claimed |
| CN-101896484-A | Theobromine production process | PERRIGO TRADING SHANGHAI CO LT | 2010-11-24 | — | — | CN | claimed |
| CN-101220032-B | Novel method for producing theobromine with 3_methylxanthine disodium salt methylating | BAILIGAO TRADE SHANGHAI CO LTD | 2010-06-02 | — | — | CN | claimed |
| WO-2009089677-A1 | THEOBROMINE PRODUCTION PROCESS | PERRIGO TRADING (SHANGHAI) CO., LTD. (CN) | 2009-07-23 | — | — | WO | claimed |
| CN-101220032-A | Novel method for producing theobromine with 3_methylxanthine disodium salt methylating | SHANDONG XINHUA PHARMACEUTICAL (CN) | 2008-07-16 | — | — | CN | claimed |
| CN-117466894-A | Preparation method of pentoxifylline | 河北一品生物医药有限公司 | 2024-01-30 | — | — | CN | disclosed |
| CN-101896484-B | Theobromine production process | PERRIGO TRADING SHANGHAI CO LT | 2013-06-12 | — | — | CN | disclosed |
| CN-101896484-B | Theobromine production process | PERRIGO TRADING SHANGHAI CO LT | 2013-06-12 | — | — | CN | disclosed |
| CN-101896484-A | Theobromine production process | PERRIGO TRADING SHANGHAI CO LT | 2010-11-24 | — | — | CN | disclosed |
| CN-101896484-A | Theobromine production process | PERRIGO TRADING SHANGHAI CO LT | 2010-11-24 | — | — | 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-B | Novel method for producing theobromine with 3_methylxanthine disodium salt methylating | BAILIGAO TRADE SHANGHAI CO LTD | 2010-06-02 | — | — | CN | disclosed |
| WO-2009089677-A1 | THEOBROMINE PRODUCTION PROCESS | PERRIGO TRADING (SHANGHAI) CO., LTD. (CN) | 2009-07-23 | — | — | WO | disclosed |
| WO-2009089677-A1 | THEOBROMINE PRODUCTION PROCESS | PERRIGO TRADING (SHANGHAI) CO., LTD. (CN) | 2009-07-23 | — | — | WO | disclosed |
| CN-101220032-A | Novel method for producing theobromine with 3_methylxanthine disodium salt methylating | SHANDONG XINHUA PHARMACEUTICAL (CN) | 2008-07-16 | — | — | 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 |
| US-5728686-A | TREATMENT OF MUSCULAR DYSTROPHY | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-03-17 | — | — | US | disclosed |
| CN-1158855-A | Alkylxanthine phosphonates and alkylxanthine phosphine oxides and their use as pharmacueticals | HOECHST AG (DE) | 1997-09-10 | — | — | CN | disclosed |