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 | 0.68 |
| ▸ | ADORA2B known ✓ | P29275 | 7/20 | 0.68 |
| ▸ | PDE4A known ✓ | P27815 | 11/20 | 0.63 |
| ▸ | PDE4B known ✓ | Q07343 | 11/20 | 0.63 |
| ▸ | PDE4C known ✓ | Q08493 | 11/20 | 0.63 |
| ▸ | PDE4D known ✓ | Q08499 | 11/20 | 0.63 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 3/20 | 0.63 |
| ▸ | ADORA1 known ✓ | P30542 | 2/20 | 0.63 |
| ▸ | PDE3B known ✓ | Q13370 | 1/20 | 0.48 |
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.78 |
| ▸ | LMNA | P02545 | 1/20 | 0.78 |
| ▸ | MAPT | P10636 | 1/20 | 0.78 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.65 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.63 |
| ▸ | ALPL | P05186 | 1/20 | 0.63 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.63 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.63 |
| ▸ | CFTR | P13569 | 2/20 | 0.48 |
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 SCHEMBL1128138 | 0.94 | ADORA2A (0.77) | CYP1A2LMNAMAPTADORA2AADORA2B | |
| Theophylline Anhydrous SCHEMBL1321168 | 0.88 | CYP1A2 (1.00) | CYP1A2LMNAMAPTADORA2AADORA2B | |
| Theophylline Anhydrous SCHEMBL5037 | 0.88 | CYP1A2 (1.00) | CYP1A2LMNAMAPTADORA2AADORA2B | |
| Theophylline Anhydrous SCHEMBL5181434 | 0.88 | CYP1A2 (1.00) | CYP1A2LMNAMAPTADORA2AADORA2B | |
| Theophylline Anhydrous SCHEMBL393183 | 0.88 | CYP1A2 (1.00) | CYP1A2LMNAMAPTADORA2AADORA2B | |
| Theophylline Anhydrous SCHEMBL7546366 | 0.87 | CYP1A2 (0.97) | CYP1A2LMNAMAPTADORA2AADORA2B | |
| Theophylline Anhydrous SCHEMBL1022085 | 0.87 | CYP1A2 (0.97) | CYP1A2LMNAMAPTADORA2AADORA2B | |
| Theophylline Anhydrous SCHEMBL11187438 | 0.87 | CYP1A2 (0.97) | CYP1A2LMNAMAPTADORA2AADORA2B | |
| Theophylline Anhydrous SCHEMBL19987964 | 0.87 | CYP1A2 (0.97) | CYP1A2LMNAMAPTADORA2AADORA2B | |
| Theophylline Anhydrous SCHEMBL9792548 | 0.87 | CYP1A2 (0.97) | CYP1A2LMNAMAPTADORA2AADORA2B |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117999073-A | Use of nadolol to treat chronic obstructive pulmonary disease by blocking the inhibitor protein-2 pathway | 慢性呼吸道治疗有限公司 | 2024-05-07 | — | — | CN | disclosed |
| EP-4304717-A1 | USE OF NADOLOL TO TREAT CHRONIC OBSTRUCTIVE PULMONARY DISEASE BY BLOCKAGE OF THE ARRESTIN-2 PATHWAY | Chronic Airway Therapeutics Limited (AU) | 2024-01-17 | — | — | EP | disclosed |
| US-9539221-B2 | Method of treating airway diseases with β-adrenergic inverse agonists | EGB ADVISORS, LLC (US) | 2017-01-10 | — | — | US | disclosed |
| US-20100286224-A1 | METHOD OF TREATING AIRWAY DISEASES WITH BETA-ADRENERGIC INVERSE AGONISTS | MCP MANAGER PTY LTD, AS TRUSTEE FOR AND FOR THE BENEFIT OF THE MCP UNIT TRUST 2014 (AU) | 2010-11-11 | — | — | US | disclosed |
| US-7528175-B2 | Method of treating airway diseases with beta-adrenergic inverse agonists | INVERSEON, INC. (US) | 2009-05-05 | — | — | US | disclosed |
| US-20080254022-A1 | Method of Treating Airway Diseases With Beta-Adrenergic Inverse Agonists | INVERSEON, INC. (US) | 2008-10-16 | — | — | US | disclosed |
| US-20070276024-A1 | Methods for Treating Diseases and Conditions with Inverse Agonists and for Screening for Agents Acting as Inverse Agonists | INVERSEON , INC. (US) | 2007-11-29 | — | — | US | disclosed |
| US-20060194882-A1 | Method of treating airway diseases with beta-adrenergic inverse agonists | MCP MANAGER PTY LTD, AS TRUSTEE FOR AND FOR THE BENEFIT OF THE MCP UNIT TRUST 2014 (AU) | 2006-08-31 | — | — | US | disclosed |
| EP-1684764-A2 | METHODS FOR TREATING DISEASES AND CONDITIONS WITH INVERSE AGONISTS AND FOR SCREENING FOR AGENTS ACTING AS INVERSE AGONISTS | Inverseon, Inc. (US) | 2006-08-02 | — | — | EP | disclosed |
| EP-1677778-A2 | METHOD OF TREATING AIRWAY DISEASES WITH BETA-ADRENERGIC INVERSE AGONISTS | Inverseon, Inc. (US) | 2006-07-12 | — | — | EP | disclosed |
| WO-2005034871-A2 | METHODS FOR TREATING DISEASES AND CONDITIONS WITH INVERSE AGONISTS | INVERSEON, INC. (US) | 2005-04-21 | — | — | WO | disclosed |
| WO-2005035731-A2 | METHODS FOR TREATING DISEASES AND CONDITIONS WITH INVERSE AGONISTS AND FOR SCREENING FOR AGENTS ACTING AS INVERSE AGONISTS | INVERSEON, INC. (US) | 2005-04-21 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20070276024-A1 | Methods for Treating Diseases and Conditions with Inverse Agonists and for Screening for Agents Acting as Inverse Agonists | MRGPRX2, MRGPRX1, GPR52 | ADORA2A 124/4885ADORA2B 181/4885PDE4A 199/4885 |
| US-20100286224-A1 | METHOD OF TREATING AIRWAY DISEASES WITH BETA-ADRENERGIC INVERSE AGONISTS | ADRB2, ADRB1, ADRA2B | ADORA2A 243/4885ADORA2B 102/4885PDE4A 75/4885 |
| US-20060194882-A1 | Method of treating airway diseases with beta-adrenergic inverse agonists | ADRB2, ADRB1, ADRA2B | ADORA2A 243/4885ADORA2B 102/4885PDE4A 75/4885 |
| US-20080254022-A1 | Method of Treating Airway Diseases With Beta-Adrenergic Inverse Agonists | ADRB1, ADRB2, ADRB3 | ADORA2A 230/4885ADORA2B 100/4885PDE4A 68/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.