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 | 0.70 |
| ▸ | PDE4B known ✓ | Q07343 | 9/20 | 0.70 |
| ▸ | PDE4C known ✓ | Q08493 | 9/20 | 0.70 |
| ▸ | PDE4D known ✓ | Q08499 | 9/20 | 0.70 |
| ▸ | ADORA2B known ✓ | P29275 | 8/20 | 0.70 |
| ▸ | ADORA2A known ✓ | P29274 | 7/20 | 0.70 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 5/20 | 0.70 |
| ▸ | ADORA1 known ✓ | P30542 | 2/20 | 0.70 |
| ▸ | PDE3B known ✓ | Q13370 | 1/20 | 0.49 |
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.49 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.72 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.70 |
| ▸ | ALPL | P05186 | 1/20 | 0.70 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.70 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.70 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.70 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.63 |
| ▸ | LMNA | P02545 | 1/20 | 0.63 |
| ▸ | MAPT | P10636 | 1/20 | 0.63 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
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 | 0.93 | ATAD2 (0.84) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL21807730 | 0.91 | ATAD2 (0.81) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL27923974 | 0.90 | ATAD2 (0.79) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL20771721 | 0.88 | ATAD2 (0.93) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL3183899 | 0.87 | ATAD2 (0.74) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL11793876 | 0.86 | CYP1A2 (0.86) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL3797680 | 0.85 | ATAD2 (0.81) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL28707336 | 0.85 | ATAD2 (0.93) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL25398274 | 0.85 | ATAD2 (1.00) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL8595167 | 0.85 | ATAD2 (1.00) | 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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116120757-B | Emulsified asphalt and preparation method thereof | 喜跃发国际环保新材料股份有限公司 | 2024-11-19 | — | — | CN | claimed |
| CN-116120757-A | Emulsified asphalt and preparation method thereof | 喜跃发国际环保新材料股份有限公司 | 2023-05-16 | — | — | CN | claimed |
| CN-116120757-B | Emulsified asphalt and preparation method thereof | 喜跃发国际环保新材料股份有限公司 | 2024-11-19 | — | — | CN | disclosed |
| CN-117486810-A | Synthesis method of 2, 5-disubstituted piperazine derivative | 西安都创医药科技有限公司 | 2024-02-02 | — | — | CN | disclosed |
| CN-116120757-A | Emulsified asphalt and preparation method thereof | 喜跃发国际环保新材料股份有限公司 | 2023-05-16 | — | — | CN | disclosed |
| CN-115925713-A | Diazacyclocycle compound intermediate and preparation method and application thereof | 苏州百灵威超精细材料有限公司 | 2023-04-07 | — | — | CN | disclosed |
| WO-2016161086-A1 | METHODS AND COMPOSITIONS FOR TREATING GLYCOGEN STORAGE DISEASES USING AGENTS THAT MIMIC OR ELEVATE CYCLIC AMP | DUKE UNIVERSITY (US) | 2016-10-06 | — | — | WO | disclosed |
| US-20140128399-A1 | METHODS AND COMPOSITIONS FOR TREATING URINARY TRACT INFECTIONS USING AGENTS THAT MIMIC OR ELEVATE CYCLIC AMP | DUKE UNIVERSITY (US) | 2014-05-08 | — | — | US | disclosed |
| US-20110171195-A1 | METHODS AND COMPOSITIONS FOR TREATING URINARY TRACT INFECTIONS USING AGENTS THAT MIMIC OR ELEVATE CYCLIC AMP | DUKE UNIVERSITY (US) | 2011-07-14 | — | — | US | disclosed |
| WO-2008157205-A2 | METHODS AND COMPOSITIONS FOR TREATING URINARY TRACT INFECTIONS USING AGENTS THAT MIMIC OR ELEVATE CYCLIC AMP | DUKE UNIVERSITY (US) | 2008-12-24 | — | — | WO | disclosed |
| EP-0552439-A1 | Pharmaceutical preparations for topical use in the treatment of psoriasis and atopical dermatitis | VALETUDO S.r.l. (IT) | 1993-07-28 | — | — | EP | disclosed |
| EP-0302097-B1 | PHARMACEUTICAL COMPOSITIONS FOR TREATING OBSTRUCTIVE AIR PASSAGE DISEASES | VESTA MEDICINES (PROPRIETARY) LIMITED (ZA) | 1993-04-28 | — | — | EP | 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 (2 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-20110171195-A1 | METHODS AND COMPOSITIONS FOR TREATING URINARY TRACT INFECTIONS USING AGENTS THAT MIMIC OR ELEVATE CYCLIC AMP | PDE7A, PDE8A, PDE8B | PDE4A 6/4885PDE4B 10/4885PDE4C 8/4885 |
| US-20140128399-A1 | METHODS AND COMPOSITIONS FOR TREATING URINARY TRACT INFECTIONS USING AGENTS THAT MIMIC OR ELEVATE CYCLIC AMP | PDE7A, PDE8A, PDE8B | PDE4A 6/4885PDE4B 10/4885PDE4C 8/4885 |
“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.