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 | 0.79 |
| ▸ | PDE4B known ✓ | Q07343 | 9/20 | 0.79 |
| ▸ | PDE4C known ✓ | Q08493 | 9/20 | 0.79 |
| ▸ | PDE4D known ✓ | Q08499 | 9/20 | 0.79 |
| ▸ | ADORA2B known ✓ | P29275 | 8/20 | 0.79 |
| ▸ | ADORA2A known ✓ | P29274 | 7/20 | 0.79 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 5/20 | 0.79 |
| ▸ | ADORA1 known ✓ | P30542 | 2/20 | 0.79 |
| ▸ | PDE3B known ✓ | Q13370 | 1/20 | 0.54 |
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.54 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.81 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.79 |
| ▸ | ALPL | P05186 | 1/20 | 0.79 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.79 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.79 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.79 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.70 |
| ▸ | LMNA | P02545 | 1/20 | 0.70 |
| ▸ | MAPT | P10636 | 1/20 | 0.70 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.57 |
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 SCHEMBL254203 | 0.98 | ATAD2 (0.84) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL27923974 | 0.95 | ATAD2 (0.79) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL20771721 | 0.94 | ATAD2 (0.93) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL3183899 | 0.93 | ATAD2 (0.74) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL1274777 | 0.92 | ATAD2 (0.96) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL29007639 | 0.92 | ATAD2 (0.96) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL11793876 | 0.91 | CYP1A2 (0.86) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL2233008 | 0.91 | ATAD2 (0.72) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL3797680 | 0.91 | ATAD2 (0.81) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL28707336 | 0.90 | ATAD2 (0.93) | 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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117919253-A | Application of xanthine compound in preparation of medicines for activating primordial follicles | 华南理工大学 | 2024-04-26 | — | — | CN | claimed |
| US-20260114475-A1 | ANIMAL FOOD COMPOSITIONS WITH IMPROVED PALATABILITY AND CUSTOMIZABILITY, AND METHODS FOR PREPARING THE SAME | MARS, INCORPORATED (US) | 2026-04-30 | — | — | US | disclosed |
| EP-4593631-A1 | ANIMAL FOOD COMPOSITIONS WITH IMPROVED PALATABILITY AND CUSTOMIZABILITY, AND METHODS FOR PREPARING THE SAME | Mars, Incorporated (US) | 2025-08-06 | — | — | EP | disclosed |
| CN-117919253-A | Application of xanthine compound in preparation of medicines for activating primordial follicles | 华南理工大学 | 2024-04-26 | — | — | CN | disclosed |
| WO-2024073025-A1 | ANIMAL FOOD COMPOSITIONS WITH IMPROVED PALATABILITY AND CUSTOMIZABILITY, AND METHODS FOR PREPARING THE SAME | MARS, INCORPORATED (US) | 2024-04-04 | — | — | WO | disclosed |
| EP-4344552-A1 | ANIMAL FOOD COMPOSITIONS WITH IMPROVED PALATABILITY, AND METHODS FOR PREPARING THE SAME | MARS, INCORPORATED (US) | 2024-04-03 | — | — | EP | disclosed |
| US-20210346385-A1 | TASTE-MASKED DOSAGE FORMS | DEEP OCEAN CAPITAL MANAGEMENT LP | 2021-11-11 | — | — | US | disclosed |
| CN-112807283-A | Novel oral pellet drug delivery system for gastrointestinal tract | 江苏集萃新型药物制剂技术研究所有限公司 | 2021-05-18 | — | — | CN | disclosed |
| WO-2020061584-A1 | TASTE-MASKED DOSAGE FORMS | MSB HOLDINGS, INC. (US) | 2020-03-26 | — | — | WO | disclosed |
| CN-106232144-A | Solid dispersion | 武田药品工业株式会社 | 2016-12-14 | — | — | CN | disclosed |
| CN-101125128-A | Sustained-release tablet composition of pramipexole | PHARMACIA CORP (US) | 2008-02-20 | — | — | CN | disclosed |
| CN-1323663-C | Sustained release tablet containing reboxetine | PHARMACIA CORP (US) | 2007-07-04 | — | — | CN | disclosed |
| CN-1671383-A | Sustained release tablet containing reboxetine | PHARMACIA CORP (US) | 2005-09-21 | — | — | CN | 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 (1 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-20260114475-A1 | ANIMAL FOOD COMPOSITIONS WITH IMPROVED PALATABILITY AND CUSTOMIZABILITY, AND METHODS FOR PREPARING THE SAME | PIGS, TAS2R13, CEL | PDE4A 541/4885PDE4B 385/4885PDE4C 483/4885 |
“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.