Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D
The experimentally established mechanism targets of Theophylline Anhydrous. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A known ✓ | P27815 | 9/20 | 0.84 |
| ▸ | PDE4B known ✓ | Q07343 | 9/20 | 0.84 |
| ▸ | PDE4C known ✓ | Q08493 | 9/20 | 0.84 |
| ▸ | PDE4D known ✓ | Q08499 | 9/20 | 0.84 |
| ▸ | ADORA2A known ✓ | P29274 | 8/20 | 0.84 |
| ▸ | ADORA2B known ✓ | P29275 | 8/20 | 0.84 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 4/20 | 0.84 |
| ▸ | ADORA1 known ✓ | P30542 | 2/20 | 0.84 |
| ▸ | PDE3B known ✓ | Q13370 | 1/20 | 0.57 |
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.97 |
| ▸ | LMNA | P02545 | 1/20 | 0.97 |
| ▸ | MAPT | P10636 | 1/20 | 0.97 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.84 |
| ▸ | ALPL | P05186 | 1/20 | 0.84 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.84 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.84 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.84 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.81 |
| ▸ | CFTR | P13569 | 2/20 | 0.57 |
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 SCHEMBL19987964 | 1.00 | CYP1A2 (0.97) | CYP1A2LMNAMAPTPDE4APDE4B | |
| Theophylline Anhydrous SCHEMBL7546366 | 1.00 | CYP1A2 (0.97) | CYP1A2LMNAMAPTPDE4APDE4B | |
| Theophylline Anhydrous SCHEMBL5037 | 0.98 | CYP1A2 (1.00) | CYP1A2LMNAMAPTPDE4APDE4B | |
| Theophylline Anhydrous SCHEMBL1321168 | 0.98 | CYP1A2 (1.00) | CYP1A2LMNAMAPTPDE4APDE4B | |
| Theophylline Anhydrous SCHEMBL5181434 | 0.98 | CYP1A2 (1.00) | CYP1A2LMNAMAPTPDE4APDE4B | |
| Theophylline Anhydrous SCHEMBL393183 | 0.98 | CYP1A2 (1.00) | CYP1A2LMNAMAPTPDE4APDE4B | |
| Theophylline Anhydrous SCHEMBL11187438 | 0.97 | CYP1A2 (0.97) | CYP1A2LMNAMAPTPDE4APDE4B | |
| Theophylline Anhydrous SCHEMBL9792548 | 0.97 | CYP1A2 (0.97) | CYP1A2LMNAMAPTPDE4APDE4B | |
| Theophylline Anhydrous SCHEMBL8719730 | 0.95 | CYP1A2 (0.94) | CYP1A2LMNAMAPTPDE4APDE4B | |
| Theophylline Anhydrous SCHEMBL28274666 | 0.94 | CYP1A2 (0.91) | CYP1A2LMNAMAPTPDE4APDE4B |
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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20190083455-A1 | METHODS AND COMPOSITIONS FOR THE MODULATION OF BETA-ENDORPHIN LEVELS | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2019-03-21 | — | — | US | claimed |
| US-20170105964-A1 | METHODS AND COMPOSITIONS FOR THE MODULATION OF BETA-ENDORPHIN LEVELS | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2017-04-20 | — | — | US | claimed |
| WO-2015195894-A1 | METHODS AND COMPOSITIONS FOR THE MODULATION OF BETA-ENDORPHIN LEVELS | THE GENERAL HOSPITAL CORPORATION (US) | 2015-12-23 | — | — | WO | claimed |
| EP-1583541-A2 | COMPOUNDS AND METHODS FOR INCREASING NEUROGENESIS | Neuronova AB (SE) | 2005-10-12 | — | — | EP | claimed |
| US-20050009847-A1 | Compounds and methods for increasing neurogenesis | NEURONOVA AB (COMPANY REGISTRATION NO. 556703-0118) (SE) | 2005-01-13 | — | — | US | claimed |
| WO-2004045592-A2 | COMPOUNDS AND METHODS FOR INCREASING NEUROGENESIS | NEURONOVA AB (SE) | 2004-06-03 | — | — | WO | claimed |
| WO-2023074761-A1 | CRYSTAL FORM DETERMINATION METHOD | 浜松ホトニクス株式会社 | 2023-05-04 | — | — | WO | disclosed |
| US-20210205172-A1 | DRUG MANAGEMENT METHOD FOR KIT FORMULATION REQUIRING DOSE ADJUSTMENT | REGIMEN KIT INC (JP) | 2021-07-08 | — | — | US | disclosed |
| EP-3838246-A1 | DRUG MANAGEMENT METHOD FOR KIT FORMULATION REQUIRING DOSE ADJUSTMENT | Regimen Kit, Inc. (JP) | 2021-06-23 | — | — | EP | disclosed |
| WO-2020158894-A1 | COMPOSITION CONTAINING POLYSULFIDE COMPOUND | 協和発酵バイオ株式会社 | 2020-08-06 | — | — | WO | disclosed |
| WO-2020036231-A1 | DRUG MANAGEMENT METHOD FOR KIT FORMULATION REQUIRING DOSE ADJUSTMENT | レジメンキット株式会社 | 2020-02-20 | — | — | WO | disclosed |
| US-20190083455-A1 | METHODS AND COMPOSITIONS FOR THE MODULATION OF BETA-ENDORPHIN LEVELS | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2019-03-21 | — | — | US | disclosed |
| EP-2465539-B1 | DISINTEGRATING PARTICLE COMPOSITION AND ORALLY RAPIDLY DISINTEGRATING TABLET | FUJI CHEM IND CO LTD (JP) | 2018-07-11 | — | — | EP | disclosed |
| EP-2298352-A1 | PERCUTANEOUS ABSORPTION ENHANCER AND TRANSDERMAL PREPARATION USING THE SAME | TOA Eiyo Ltd. (JP) | 2011-03-23 | — | — | EP | disclosed |
| EP-1583541-B1 | COMPOUNDS AND METHODS FOR INCREASING NEUROGENESIS | NEURONOVA AB (SE) | 2011-01-12 | — | — | EP | disclosed |
| US-20070224645-A1 | Novel cell-based phosphodiesterase assays | BD BIOSCIENCES | 2007-09-27 | — | — | US | disclosed |
| WO-2007100618-A2 | NOVEL CELL-BASED PHOSPHODIESTERASE ASSAYS | ATTO BIOSCIENCE (US) | 2007-09-07 | — | — | WO | disclosed |
| EP-1583541-A2 | COMPOUNDS AND METHODS FOR INCREASING NEUROGENESIS | Neuronova AB (SE) | 2005-10-12 | — | — | EP | disclosed |
| US-20050009847-A1 | Compounds and methods for increasing neurogenesis | NEURONOVA AB (COMPANY REGISTRATION NO. 556703-0118) (SE) | 2005-01-13 | — | — | US | disclosed |
| WO-2004045592-A2 | COMPOUNDS AND METHODS FOR INCREASING NEUROGENESIS | NEURONOVA AB (SE) | 2004-06-03 | — | — | WO | disclosed |