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 | |
|---|---|---|---|---|
| ▸ | ADORA2A known ✓ | P29274 | 11/20 | 0.77 |
| ▸ | ADORA2B known ✓ | P29275 | 7/20 | 0.77 |
| ▸ | PDE4A known ✓ | P27815 | 11/20 | 0.72 |
| ▸ | PDE4B known ✓ | Q07343 | 11/20 | 0.72 |
| ▸ | PDE4C known ✓ | Q08493 | 11/20 | 0.72 |
| ▸ | PDE4D known ✓ | Q08499 | 11/20 | 0.72 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 3/20 | 0.72 |
| ▸ | ADORA1 known ✓ | P30542 | 2/20 | 0.72 |
| ▸ | PDE3B known ✓ | Q13370 | 1/20 | 0.50 |
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.50 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.74 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.72 |
| ▸ | ALPL | P05186 | 1/20 | 0.72 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.72 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.72 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.72 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.65 |
| ▸ | LMNA | P02545 | 1/20 | 0.65 |
| ▸ | MAPT | P10636 | 1/20 | 0.65 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.53 |
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 SCHEMBL3749870 | 0.94 | CYP1A2 (0.78) | ADORA2AADORA2BATAD2PDE4APDE4B | |
| 1-Methylxanthine SCHEMBL10996 | 0.88 | ADORA2B (1.00) | ADORA2AADORA2BATAD2PDE4APDE4B | |
| 1-Methylxanthine SCHEMBL28309011 | 0.86 | ADORA2B (0.96) | ADORA2AADORA2BATAD2PDE4APDE4B | |
| 1-Methylxanthine SCHEMBL27529726 | 0.86 | ADORA2B (0.96) | ADORA2AADORA2BATAD2PDE4APDE4B | |
| 1-Methylxanthine SCHEMBL9682658 | 0.86 | ADORA2B (0.96) | ADORA2AADORA2BATAD2PDE4APDE4B | |
| Theophylline Anhydrous SCHEMBL25398274 | 0.86 | ATAD2 (1.00) | ADORA2AADORA2BATAD2PDE4APDE4B | |
| Theophylline Anhydrous SCHEMBL4915 | 0.86 | ATAD2 (1.00) | ADORA2AADORA2BATAD2PDE4APDE4B | |
| Theophylline Anhydrous SCHEMBL3051675 | 0.86 | ATAD2 (1.00) | ADORA2AADORA2BATAD2PDE4APDE4B | |
| Theophylline Anhydrous SCHEMBL8595167 | 0.86 | ATAD2 (1.00) | ADORA2AADORA2BATAD2PDE4APDE4B | |
| 3-Methylxanthine SCHEMBL1892894 | 0.86 | ADORA2B (0.77) | ADORA2AADORA2BATAD2PDE4APDE4B |
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 65 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0325969-B1 | USE OF A MIXTURE FOR TREATMENT OF ALOPECIA | DR. AUGUST WOLFF CHEMISCH-PHARMAZEUTISCHE FABRIK GMBH & CO. KG (DE) | 1993-04-14 | — | — | EP | claimed |
| EP-0325969-A1 | Use of a mixture for treatment of alopecia | DR. AUGUST WOLFF CHEMISCH-PHARMAZEUTISCHE FABRIK GMBH & CO. KG (DE) | 1989-08-02 | — | — | EP | claimed |
| EP-3889141-A1 | (R)-3-(4'-(2-(2-METHYLPYRROLIDIN-1-YL)ETHYL)BIPHENYL-4-YL)PROPANOIC ACID AS HISTAMINE H3 RECEPTOR MODULATORS FOR THE TREATMENT OF COGNITIVE DISORDERS | Arena Pharmaceuticals, Inc. (US) | 2021-10-06 | — | — | EP | disclosed |
| EP-3309150-B1 | (R)-3-(4'-(2-(2-METHYLPYRROLIDIN-1-YL)ETHYL)BIPHENYL-4-YL)PROPANOIC ACID AS HISTAMINE H3 RECEPTOR MODULATORS FOR THE TREATMENT OF COGNITIVE DISORDERS | ARENA PHARM INC (US) | 2021-06-02 | — | — | EP | disclosed |
| CN-105101958-B | Treatment of pulmonary conditions | 纽斯尔特科学公司 | 2019-05-17 | — | — | CN | disclosed |
| EP-2945616-B1 | TREATING PULMONARY CONDITIONS | NUSIRT SCIENCES INC (US) | 2018-11-28 | — | — | EP | disclosed |
| US-10039733-B2 | Compositions, method, and kits for treating pulmonary conditions | NUSIRT SCIENCES, INC. (US) | 2018-08-07 | — | — | US | disclosed |
| EP-3309150-A1 | BIPHENYL-ETHYL-PYRROLIDINE DERIVATIVES AS HISTAMINE H3 RECEPTOR MODULATORS FOR THE TREATMENT OF COGNITIVE DISORDERS | Arena Pharmaceuticals, Inc. (US) | 2018-04-18 | — | — | EP | disclosed |
| US-20170368012-A1 | COMPOSITIONS, METHOD, AND KITS FOR TREATING PULMONARY CONDITIONS | NUSIRT SCIENCES, INC. | 2017-12-28 | — | — | US | disclosed |
| CN-105263914-B | biphenyl-ethyl-pyrrolidine derivatives as histamine H3 receptor modulators for the treatment of cognitive disorders | 艾尼纳制药公司 | 2017-10-27 | — | — | CN | disclosed |
| EP-2943473-B1 | BIPHENYL-ETHYL-PYRROLIDINE DERIVATIVES AS HISTAMINE H3 RECEPTOR MODULATORS FOR THE TREATMENT OF COGNITIVE DISORDERS | ARENA PHARM INC (US) | 2017-08-23 | — | — | EP | disclosed |
| US-20040077556-A1 | Compositions and methods for promoting weight loss, thermogenesis, appetite suppression, lean muscle mass, increasing metabolism and boosting energy levels, and use as a dietary supplement in mammals | RTC RESEARCH AND DEVELOPMENT, LLC | 2004-04-22 | — | — | US | disclosed |
| WO-2003090673-A2 | COMPOSITIONS AND METHODS FOR PROMOTING WEIGHT LOSS, THERMOGENESIS, APPETITE SUPPRESSION, LEAN MUSCLE MASS, INCREASING METABOLISM AND BOOSTING ENERGY LEVELS, AND USE AS A DIETARY SUPPLEMENT IN MAMMALS | RTC RESEARCH & DEVELOPMENT, LLC. (US) | 2003-11-06 | — | — | WO | disclosed |
| EP-1292314-A2 | METHOD FOR TREATING RESPIRATORY DISORDERS ASSOCIATED WITH PULMONARY ELASTIC FIBER INJURY COMPRISING THE USE OF GLYCOSAMINOGLYCANS | The Trustees of Columbia University in the City of New York (US) | 2003-03-19 | — | — | EP | disclosed |
| WO-2001093846-A2 | METHOD FOR TREATING RESPIRATORY DISORDERS ASSOCIATED WITH PULMONARY ELASTIC FIBER INJURY COMPRISING THE USE OF CLYCOSAMINOGLYCANS | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2001-12-13 | — | — | WO | disclosed |
| CN-1064361-C | Xanthine compounds having terminally aminated alkynol side chains | HOECHST AG (DE) | 2001-04-11 | — | — | CN | disclosed |
| EP-0811623-B1 | Xanthine derivatives with end-aminated alkynol side chains | HOECHST AG (DE) | 2001-04-04 | — | — | EP | disclosed |
| US-5965555-A | TREATMENT AND/OR PROPHYLAXIS OF CEREBROVASCULAR DISORDERS CHARACTERIZED BY DAMAGE CAUSED BY ISCHEMIA AND SUBSEQUENT NECROTIC DESTRUCTION OF NERVE CELLS(NEURONS) | HOECHST AKTIENGESELLSCHAFT (DE) | 1999-10-12 | — | — | US | disclosed |
| CN-1169994-A | Xanthine compounds having terminally aminated alkynol side chains | HOECHST AG (DE) | 1998-01-14 | — | — | CN | disclosed |
| EP-0811623-A1 | Xanthine derivatives with end-aminated alkynol side chains | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-12-10 | — | — | EP | disclosed |