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 | 1.00 |
| ▸ | PDE4B known ✓ | Q07343 | 9/20 | 1.00 |
| ▸ | PDE4C known ✓ | Q08493 | 9/20 | 1.00 |
| ▸ | PDE4D known ✓ | Q08499 | 9/20 | 1.00 |
| ▸ | ADORA2A known ✓ | P29274 | 8/20 | 1.00 |
| ▸ | ADORA2B known ✓ | P29275 | 8/20 | 1.00 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 4/20 | 1.00 |
| ▸ | ADORA1 known ✓ | P30542 | 2/20 | 1.00 |
| ▸ | PDE3B known ✓ | Q13370 | 1/20 | 0.60 |
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.60 |
| ▸ | PIK3CD | O00329 | 1/20 | 1.00 |
| ▸ | ALPL | P05186 | 1/20 | 1.00 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 1.00 |
| ▸ | CYP2C19 | P33261 | 1/20 | 1.00 |
| ▸ | HIF1A | Q16665 | 1/20 | 1.00 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.96 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.81 |
| ▸ | LMNA | P02545 | 1/20 | 0.81 |
| ▸ | MAPT | P10636 | 1/20 | 0.81 |
| ▸ | CFTR | P13569 | 2/20 | 0.60 |
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 SCHEMBL28437139 | 1.00 | PDE4A (1.00) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| Theophylline Anhydrous SCHEMBL28601471 | 1.00 | PDE4A (1.00) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| Theophylline Anhydrous SCHEMBL10972034 | 0.98 | PDE4A (0.96) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| Theophylline Anhydrous SCHEMBL4915 | 0.98 | ATAD2 (1.00) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| Theophylline Anhydrous SCHEMBL8595167 | 0.98 | ATAD2 (1.00) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| Theophylline Anhydrous SCHEMBL25398274 | 0.98 | ATAD2 (1.00) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| Theophylline Anhydrous SCHEMBL3051675 | 0.98 | ATAD2 (1.00) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| Theophylline Anhydrous SCHEMBL8966477 | 0.96 | ATAD2 (0.96) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| Theophylline Anhydrous SCHEMBL21753826 | 0.96 | ATAD2 (0.96) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| Theophylline Anhydrous SCHEMBL8136336 | 0.96 | ATAD2 (0.96) | PDE4APDE4BPDE4CPDE4DADORA2A |
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 790 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2025068213-A1 | USE OF A MARKER SET FOR DETERMINING THE RISK OF HAVING OR DEVELOPING BLADDER CANCER | NUMARES AG (DE) | 2025-04-03 | — | — | WO | claimed |
| WO-2024151651-A1 | METHOD FOR TREATING NETOSIS-MEDIATED DISEASES | NATIONAL HEALTH RESEARCH INSTITUTES (TW) | 2024-07-18 | — | — | WO | claimed |
| WO-2024028324-A1 | MOLECULES FOR THE PREVENTION AND TREATMENT OF NEUROMUSCULAR DISORDERS | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) | 2024-02-08 | — | — | WO | claimed |
| EP-3946353-A1 | COMPOUNDS FOR USE IN THE TREATMENT OF ADCY5-RELATED DYSKINESIA | ASSISTANCE PUBLIQUE, HOPITAUX DE PARIS (FR) | 2022-02-09 | — | — | EP | claimed |
| CN-109369546-B | Methylpyrazine derivative theophylline hemihydrate | 鲁南制药集团股份有限公司 | 2021-08-03 | — | — | CN | claimed |
| 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-20170362616-A1 | BIOSYNTHETIC PRODUCTION OF CAFFEINE | CODEXIS INC (US) | 2017-12-21 | — | — | US | claimed |
| EP-2603227-B1 | IMPROVED HEMATOPOIETIC STEM AND PROGENITOR CELL THERAPY | FATE THERAPEUTICS INC (US) | 2017-10-04 | — | — | EP | claimed |
| EP-3223621-A1 | BIOSYNTHETIC PRODUCTION OF CAFFEINE | Codexis, Inc. (US) | 2017-10-04 | — | — | EP | claimed |
| EP-3217984-A1 | CAFFEINE FOR THE TREATMENT OF MYOTONIC DYSTROPHY TYPE 1 AND TYPE 2 | Universitat de València (ES) | 2017-09-20 | — | — | EP | claimed |
| WO-2001079837-A1 | METHYLXANTHINES IN THE DIAGNOSIS AND TREATMENT OF AUTISTIC DISORDER | REPLIGEN CORPORATION (US) | 2001-10-25 | — | — | WO | claimed |
| WO-1998014181-A1 | TREATMENT AND PREVENTION OF HEPATIC DISORDERS | REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1998-04-09 | — | — | WO | claimed |
| EP-0508848-B1 | Cosmetic composition for combatting skin-ageing containing in association at least one retinoid and at least one dialkyl- or trialkylxanthine | OREAL (FR) | 1995-07-19 | — | — | EP | claimed |
| US-5399688-A | Caffeine recovery from activated carbon | JACOBS SUCHARD AG (CH) | 1995-03-21 | — | — | US | claimed |
| EP-0583498-A1 | Improved caffeine recovery from activated carbon | Jacobs Suchard AG (CH) | 1994-02-23 | — | — | EP | claimed |
| EP-0508848-A1 | Cosmetic composition for combatting skin-ageing containing in association at least one retinoid and at least one dialkyl- or trialkylxanthine | L'OREAL (FR) | 1992-10-14 | — | — | EP | claimed |
| EP-0169236-A1 | CONTROLLED RELEASE LIQUID DOSAGE FORMULATIONS FOR PHARMACEUTICALS | BATTELLE DEVELOPMENT CORPORATION (US) | 1986-01-29 | — | — | EP | claimed |
| WO-1985003000-A1 | CONTROLLED RELEASE LIQUID DOSAGE FORMULATIONS FOR PHARMACEUTICALS | BATTELLE DEVELOPMENT CORPORATION (US) | 1985-07-18 | — | — | WO | claimed |
| EP-0045617-A2 | Pharmaceutical composition | Smith and Nephew Associated Companies p.l.c. (GB) | 1982-02-10 | — | — | EP | claimed |
| US-4189469-A | Pharmaceutical compositions | HOECHST AKTIENGESELLSCHAFT (DE) | 1980-02-19 | — | — | US | claimed |