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 | 11/20 | 0.81 |
| ▸ | PDE4B known ✓ | Q07343 | 11/20 | 0.81 |
| ▸ | PDE4C known ✓ | Q08493 | 11/20 | 0.81 |
| ▸ | PDE4D known ✓ | Q08499 | 11/20 | 0.81 |
| ▸ | ADORA2A known ✓ | P29274 | 9/20 | 0.81 |
| ▸ | ADORA2B known ✓ | P29275 | 8/20 | 0.81 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 3/20 | 0.81 |
| ▸ | ADORA1 known ✓ | P30542 | 2/20 | 0.81 |
| ▸ | PDE3B known ✓ | Q13370 | 1/20 | 0.58 |
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.58 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.84 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.81 |
| ▸ | ALPL | P05186 | 1/20 | 0.81 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.81 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.81 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.81 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.77 |
| ▸ | LMNA | P02545 | 1/20 | 0.77 |
| ▸ | MAPT | P10636 | 1/20 | 0.77 |
| ▸ | CFTR | P13569 | 2/20 | 0.58 |
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 SCHEMBL11422742 | 0.98 | ATAD2 (0.81) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL28092533 | 0.94 | ATAD2 (0.74) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL28294581 | 0.94 | ATAD2 (0.84) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL23929339 | 0.93 | ATAD2 (0.90) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL11389497 | 0.92 | ATAD2 (0.87) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL28308106 | 0.92 | ATAD2 (0.93) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL20771721 | 0.92 | ATAD2 (0.93) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL28707336 | 0.92 | ATAD2 (0.93) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL4915 | 0.92 | ATAD2 (1.00) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL3051675 | 0.92 | ATAD2 (1.00) | ATAD2PDE4APDE4BPDE4CPDE4D |
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 82 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112190498-B | Water-soluble theophylline and cyclodextrin inclusion compound and preparation method thereof | 华南理工大学 | 2022-03-25 | — | — | CN | claimed |
| CN-113679690-A | Theophylline dry powder preparation and preparation method and application thereof | 复旦大学附属中山医院 | 2021-11-23 | — | — | CN | claimed |
| CN-112190498-A | Water-soluble theophylline and cyclodextrin inclusion compound and preparation method thereof | 华南理工大学 | 2021-01-08 | — | — | CN | claimed |
| US-20200371100-A1 | ASSAY METHODS FOR IMPROVED ANALYTE DETECTION | ORASURE TECHNOLOGIES, INC. | 2020-11-26 | — | — | US | claimed |
| EP-3665187-A1 | ASSAY METHODS FOR IMPROVED ANALYTE DETECTION | OraSure Technologies, Inc. (US) | 2020-06-17 | — | — | EP | claimed |
| WO-2019032669-A1 | ASSAY METHODS FOR IMPROVED ANALYTE DETECTION | ORASURE TECHNOLOGIES, INC. (US) | 2019-02-14 | — | — | WO | claimed |
| CN-103837612-B | Method for measuring related substances of doxofylline injection | 黑龙江福和华星制药集团股份有限公司 | 2016-10-05 | — | — | CN | claimed |
| CN-103837612-A | Method for measuring related substances of doxofylline injection | HEILONGJIANG FUHE HUAXING PHARMACEUTICAL GROUP CO LTD | 2014-06-04 | — | — | CN | claimed |
| US-8062908-B2 | Device for collection and assay of oral fluids | ORASURE TECHNOLOGIES, INC. (US) | 2011-11-22 | — | — | US | claimed |
| US-20100239458-A1 | COLLECTION DEVICE FOR ASSAY OF ORAL FLUIDS | ORASURE TECHNOLOGIES, INC. (US) | 2010-09-23 | — | — | US | claimed |
| US-20090170072-A1 | DEVICE FOR COLLECTION AND ASSAY OF ORAL FLUIDS | ORASURE TECHNOLOGIES, INC. (US) | 2009-07-02 | — | — | US | claimed |
| US-7541194-B2 | Device for collection and assay of oral fluids | ORASURE TECHNOLOGIES, INC. (US) | 2009-06-02 | — | — | US | claimed |
| US-20070116597-A1 | Device for collection and assay of oral fluids | MINK RONALD W | 2007-05-24 | — | — | US | claimed |
| US-7192555-B2 | Device for collection and assay of oral fluids | ORASURE TECHNOLOGIES, INC. (US) | 2007-03-20 | — | — | US | claimed |
| EP-1696236-A2 | Device for assay of antibodies in oral fluids | OraSure Technologies, Inc. (US) | 2006-08-30 | — | — | EP | claimed |
| EP-1086372-B1 | COLLECTION DEVICE FOR SINGLE STEP ASSAY OF ORAL FLUIDS | ORASURE TECHNOLOGIES INC (US) | 2006-05-31 | — | — | EP | claimed |
| US-20230314424-A1 | FLUID TESTING DEVICE | RJS MEDIAGNOSTIX | 2023-10-05 | — | — | US | disclosed |
| EP-4189392-A1 | FLUID TESTING DEVICE | RJS Mediagnostix (US) | 2023-06-07 | — | — | EP | disclosed |
| WO-1999050656-A1 | COLLECTION DEVICE FOR SINGLE STEP ASSAY OF ORAL FLUIDS | EPITOPE, INC. (US) | 1999-10-07 | — | — | WO | disclosed |
| US-5871905-A | MICROPARTICLE-BASED IMMUNOASSAY USING BILE ACID OR SALT; ACCURACY | EPITOPE, INC. (US) | 1999-02-16 | — | — | US | disclosed |