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 | 0.81 |
| ▸ | PDE4B known ✓ | Q07343 | 9/20 | 0.81 |
| ▸ | PDE4C known ✓ | Q08493 | 9/20 | 0.81 |
| ▸ | PDE4D known ✓ | Q08499 | 9/20 | 0.81 |
| ▸ | ADORA2A known ✓ | P29274 | 8/20 | 0.81 |
| ▸ | ADORA2B known ✓ | P29275 | 8/20 | 0.81 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 4/20 | 0.81 |
| ▸ | ADORA1 known ✓ | P30542 | 2/20 | 0.81 |
| ▸ | PDE3B known ✓ | Q13370 | 1/20 | 0.58 |
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 2/20 | 1.00 |
| ▸ | LMNA | P02545 | 1/20 | 1.00 |
| ▸ | MAPT | P10636 | 1/20 | 1.00 |
| ▸ | 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 |
| ▸ | 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 SCHEMBL393183 | 1.00 | CYP1A2 (1.00) | CYP1A2LMNAMAPTATAD2PDE4A | |
| Theophylline Anhydrous SCHEMBL1321168 | 1.00 | CYP1A2 (1.00) | CYP1A2LMNAMAPTATAD2PDE4A | |
| Theophylline Anhydrous SCHEMBL5181434 | 1.00 | CYP1A2 (1.00) | CYP1A2LMNAMAPTATAD2PDE4A | |
| Theophylline Anhydrous SCHEMBL1022085 | 0.98 | CYP1A2 (0.97) | CYP1A2LMNAMAPTATAD2PDE4A | |
| Theophylline Anhydrous SCHEMBL9792548 | 0.98 | CYP1A2 (0.97) | CYP1A2LMNAMAPTATAD2PDE4A | |
| Theophylline Anhydrous SCHEMBL19987964 | 0.98 | CYP1A2 (0.97) | CYP1A2LMNAMAPTATAD2PDE4A | |
| Theophylline Anhydrous SCHEMBL7546366 | 0.98 | CYP1A2 (0.97) | CYP1A2LMNAMAPTATAD2PDE4A | |
| Theophylline Anhydrous SCHEMBL11187438 | 0.98 | CYP1A2 (0.97) | CYP1A2LMNAMAPTATAD2PDE4A | |
| Theophylline Anhydrous SCHEMBL8719730 | 0.97 | CYP1A2 (0.94) | CYP1A2LMNAMAPTATAD2PDE4A | |
| Theophylline Anhydrous SCHEMBL28274666 | 0.95 | CYP1A2 (0.91) | CYP1A2LMNAMAPTATAD2PDE4A |
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
Appears in 32944 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-120789080-B | Therapeutic drug for chronic obstructive pulmonary disease | THE AFFILIATED HOSPITAL OF SOUTHWEST MEDICAL UNIVERSITY (CN) | 2026-05-26 | — | — | CN | claimed |
| US-12616651-B2 | Topical lipolysis composition and methods | Lipodissolve Therapeutics Inc. (CA) | 2026-05-05 | — | — | US | claimed |
| US-12576085-B2 | Combination comprising an ATP analog and an adenosine receptor antagonist or a nucleobase/nucleoside analog for the treatment of cancer | SAWYER MICHAEL BRUCE (CA) | 2026-03-17 | — | — | US | claimed |
| US-20260069551-A1 | Patch for treating demyelinating diseases | UNIV MAINZ JOHANNES GUTENBERG (DE) | 2026-03-12 | — | — | US | claimed |
| US-20260060914-A1 | CONTOUR INJECTION COMPOSITION | HONG JONG CHEOL (KR) | 2026-03-05 | — | — | US | claimed |
| US-12550694-B2 | Selective deposition for integrated circuit interconnect structures | TAIWAN SEMICONDUCTOR MANUFACTURING CO., LTD. (TW) | 2026-02-10 | — | — | US | claimed |
| EP-4679085-A1 | BIOMARKER AND USE THEREOF | MEIJI CO., LTD (JP) | 2026-01-14 | — | — | EP | claimed |
| US-20250360137-A1 | ENHANCEMENT OF THE EFFICACY OF SEROTONERGIC PSYCHEDELIC DRUGS IN THE TREATMENT OR PREVENTION OF CERTAIN NEUROPSYCHIATRIC DISORDERS THROUGH INHIBITION OF TYPE-9 PHOSPHODIESTERASES | FREEDOM BIOSCIENCES INC (US) | 2025-11-27 | — | — | US | claimed |
| US-20250352565-A1 | Compositions for Improving Physiological Function with Age | THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) | 2025-11-20 | — | — | US | claimed |
| US-12472186-B2 | Pharmaceutical compositions and methods of treating cardiovascular diseases | Cardix Therapeutics LLC (US) | 2025-11-18 | — | — | US | claimed |
| EP-0046289-A2 | Substituted enantholactam derivatives as antihypertensives, a process for preparing and a pharmaceutical composition containing them, and intermediates | MERCK & CO. INC. (US) | 1982-02-24 | — | — | EP | claimed |
| EP-0046291-A2 | Substituted caprolactam derivatives as antihypertensives, process for preparing them, pharmaceutical composition containing them, and intermediates | MERCK & CO. INC. (US) | 1982-02-24 | — | — | EP | claimed |
| US-4235236-A | Device for dispensing drug by combined diffusional and osmotic operations | ALZA CORPORATION (US) | 1980-11-25 | — | — | US | claimed |
| US-4235870-A | COMPRISING A HIGHER ALIPHATIC ALCOHOL AND A HYDRATED HYDROXYALKYL CELLULOSE | SYNGERGISTICS (US) | 1980-11-25 | — | — | US | claimed |
| EP-0015684-A1 | Zinc aminophylline, its preparation and pharmaceutical use | Research Corporation (US) | 1980-09-17 | — | — | EP | claimed |
| US-4187286-A | POLYETHYLENE GLYCOL, SPERMICIDE, THICKENER, EFFERVESCENT AGENT, ALGINIC ACID | G&W Laboratories, Inc. (US) | 1980-02-05 | — | — | US | claimed |
| US-4073907-A | CARBON DIOXIDE-FREE, SODIUM EDETATE, CRYSTAL GROWTH INHIBITION | ABBOTT LABORATORIES (US) | 1978-02-14 | — | — | US | claimed |
| US-4014334-A | Laminated osmotic system for dispensing beneficial agent | ALZA CORPORATION (US) | 1977-03-29 | — | — | US | claimed |
| US-4008719-A | Osmotic system having laminar arrangement for programming delivery of active agent | ALZA CORPORATION (US) | 1977-02-22 | — | — | US | claimed |
| US-3965256-A | ALCOHOL AND HYDRATED HYDROXYALKYL CELLULOSE | SYNERGISTICS (US) | 1976-06-22 | — | — | US | claimed |