Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.75 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.75 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.75 |
| ▸ | CHIT1 | Q13231 | 1/20 | 0.52 |
| ▸ | CHIA | Q9BZP6 | 1/20 | 0.52 |
| ▸ | ADORA2A | P29274 | 7/20 | 0.51 |
| ▸ | PDE4A | P27815 | 5/20 | 0.51 |
| ▸ | PDE4B | Q07343 | 5/20 | 0.51 |
| ▸ | PDE4C | Q08493 | 5/20 | 0.51 |
| ▸ | PDE4D | Q08499 | 5/20 | 0.51 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.51 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.51 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.51 |
| ▸ | BLM | P54132 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 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 | |
|---|---|---|---|---|
| Theophylline Anhydrous SCHEMBL17748262 | 0.92 | CYP3A4 (0.63) | MAPK1CYP3A4PMP22CHIT1CHIA | |
| Caffeine SCHEMBL17748263 | 0.89 | ADORA2A (0.61) | MAPK1CYP3A4PMP22CHIT1CHIA | |
| Theophylline Anhydrous SCHEMBL1655326 | 0.89 | MAPK1 (0.66) | MAPK1CYP3A4PMP22CHIT1CHIA | |
| Theophylline Anhydrous SCHEMBL2328875 | 0.87 | ADORA2A (0.64) | MAPK1CYP3A4PMP22CHIT1CHIA | |
| Theobromine SCHEMBL11599459 | 0.87 | CYP3A4 (1.00) | MAPK1CYP3A4PMP22ADORA2APDE4A | |
| Theobromine SCHEMBL3184 | 0.87 | CYP3A4 (1.00) | MAPK1CYP3A4PMP22ADORA2APDE4A | |
| Theobromine SCHEMBL1690622 | 0.87 | CYP3A4 (1.00) | MAPK1CYP3A4PMP22ADORA2APDE4A | |
| 3-Methylxanthine SCHEMBL237146 | 0.87 | ADORA2A (0.64) | MAPK1CYP3A4PMP22ADORA2APDE4A | |
| Caffeine SCHEMBL27666855 | 0.86 | CYP3A4 (0.63) | MAPK1CYP3A4PMP22CHIT1CHIA | |
| Theobromine SCHEMBL4018409 | 0.86 | CYP3A4 (0.66) | MAPK1CYP3A4PMP22CHIT1CHIA |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2768950-B1 | N-DEMETHYASE GENES AND USES THEREOF | UNIV IOWA RES FOUND (US) | 2018-03-07 | — | — | EP | disclosed |
| EP-3217985-A1 | COMPOUNDS FOR THE TREATMENT OF MYOTONIC DYSTROPHY | Universitat de València (ES) | 2017-09-20 | — | — | EP | disclosed |
| WO-2016075285-A1 | COMPOUNDS FOR THE TREATMENT OF MYOTONIC DYSTROPHY | UNIVERSITAT DE VALÈNCIA (ES) | 2016-05-19 | — | — | WO | disclosed |
| US-20150184166-A1 | CAFFEINE RESPONSIVE PROMOTERS AND REGULATORY GENES | UNIVERSITY OF IOWA RESEARCH FOUNDATION | 2015-07-02 | — | — | US | disclosed |
| EP-2861740-A1 | CAFFEINE RESPONSIVE PROMOTERS AND REGULATORY GENES | University of Iowa Research Foundation (US) | 2015-04-22 | — | — | EP | disclosed |
| US-8951752-B2 | N-demethyase genes and uses thereof | UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) | 2015-02-10 | — | — | US | disclosed |
| EP-2768950-A1 | N-DEMETHYASE GENES AND USES THEREOF | University of Iowa Research Foundation (US) | 2014-08-27 | — | — | EP | disclosed |
| US-20140227729-A1 | N-DEMETHYASE GENES AND USES THEREOF | UNIVERSITY OF IOWA RESEARCH FOUNDATION IOWA CENTERS FOR ENTERPRISE (US) | 2014-08-14 | — | — | US | disclosed |
| WO-2013187957-A1 | CAFFEINE RESPONSIVE PROMOTERS AND REGULATORY GENES | UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) | 2013-12-19 | — | — | WO | disclosed |
| CN-101896484-B | Theobromine production process | PERRIGO TRADING SHANGHAI CO LT | 2013-06-12 | — | — | CN | disclosed |
| WO-2013059507-A1 | N-DEMETHYASE GENES AND USES THEREOF | UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) | 2013-04-25 | — | — | WO | disclosed |
| CN-101896484-A | Theobromine production process | PERRIGO TRADING SHANGHAI CO LT | 2010-11-24 | — | — | CN | disclosed |
| WO-2009089677-A1 | THEOBROMINE PRODUCTION PROCESS | PERRIGO TRADING (SHANGHAI) CO., LTD. (CN) | 2009-07-23 | — | — | WO | disclosed |