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 | 10/20 | 0.62 |
| ▸ | PDE4A known ✓ | P27815 | 9/20 | 0.62 |
| ▸ | PDE4B known ✓ | Q07343 | 9/20 | 0.62 |
| ▸ | PDE4C known ✓ | Q08493 | 9/20 | 0.62 |
| ▸ | PDE4D known ✓ | Q08499 | 9/20 | 0.62 |
| ▸ | ADORA2B known ✓ | P29275 | 6/20 | 0.62 |
| ▸ | ADORA1 known ✓ | P30542 | 3/20 | 0.62 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 2/20 | 0.62 |
| ▸ | PDE3B known ✓ | Q13370 | 1/20 | 0.44 |
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.66 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.66 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.63 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.62 |
| ▸ | ALPL | P05186 | 1/20 | 0.62 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.62 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.62 |
| ▸ | CHIT1 | Q13231 | 1/20 | 0.59 |
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 SCHEMBL2328875 | 0.99 | ADORA2A (0.64) | MAPK1CYP3A4PMP22ATAD2ADORA2A | |
| Caffeine SCHEMBL27666855 | 0.98 | CYP3A4 (0.63) | MAPK1CYP3A4PMP22ATAD2ADORA2A | |
| Theophylline Anhydrous SCHEMBL17748262 | 0.98 | CYP3A4 (0.63) | MAPK1CYP3A4PMP22ATAD2ADORA2A | |
| Caffeine SCHEMBL6396621 | 0.96 | ADORA2A (0.61) | MAPK1CYP3A4PMP22ATAD2ADORA2A | |
| Theophylline Anhydrous SCHEMBL1963405 | 0.94 | CYP1A2 (0.67) | MAPK1CYP3A4PMP22ATAD2ADORA2A | |
| Theophylline Anhydrous SCHEMBL17748265 | 0.93 | CYP1A2 (0.66) | MAPK1CYP3A4PMP22ATAD2ADORA2A | |
| Caffeine SCHEMBL17748263 | 0.90 | ADORA2A (0.61) | MAPK1CYP3A4PMP22ATAD2ADORA2A | |
| Theobromine SCHEMBL4024314 | 0.89 | MAPK1 (0.75) | MAPK1CYP3A4PMP22ATAD2ADORA2A | |
| Paraxanthine SCHEMBL25275065 | 0.88 | LMNA (0.58) | MAPK1CYP3A4PMP22ATAD2ADORA2A | |
| Caffeine SCHEMBL2364081 | 0.87 | ATAD2 (0.74) | MAPK1CYP3A4ATAD2ADORA2APDE4A |
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 |
|---|---|---|---|---|---|---|---|
| US-20240189231-A1 | LIPID VESICLE COMPOSITIONS WITH PENETRATION ENHANCING AGENTS | DDS REASEARCH INC. (CA) | 2024-06-13 | — | — | US | claimed |
| US-11801221-B2 | Lipid vesicle compositions with penetration enhancing agents | DDS RESEARCH INC. (CA) | 2023-10-31 | — | — | US | claimed |
| US-20230157954-A1 | LIPID VESICLE COMPOSITIONS WITH PENETRATION ENHANCING AGENTS | DDS REASEARCH INC. (CA) | 2023-05-25 | — | — | US | claimed |
| CN-115175667-A | Lipid vesicle composition with permeation enhancer | 迪迪艾斯研究公司 | 2022-10-11 | — | — | CN | claimed |
| US-20220218611-A1 | LIPID VESICLE COMPOSITIONS WITH PENETRATION ENHANCING AGENTS | DDS RESEARCH INC. (CA) | 2022-07-14 | — | — | US | claimed |
| WO-2021056106-A1 | LIPID VESICLE COMPOSITIONS WITH PENETRATION ENHANCING AGENTS | DDS RESEARCH INC. (CA) | 2021-04-01 | — | — | WO | claimed |
| EP-3217985-A1 | COMPOUNDS FOR THE TREATMENT OF MYOTONIC DYSTROPHY | Universitat de València (ES) | 2017-09-20 | — | — | EP | disclosed |
| WO-2016075285-A1 | COMPOUNDS FOR THE TREATMENT OF MYOTONIC DYSTROPHY | UNIVERSITAT DE VALÈNCIA (ES) | 2016-05-19 | — | — | WO | disclosed |
| US-20120302590-A1 | METHODS AND COMPOSITIONS TO PREVENT ADDICTION | THE GENERAL HOSPITAL CORPORATION (US) | 2012-11-29 | — | — | US | disclosed |
| WO-2011020030-A9 | METHODS AND COMPOSITIONS TO PREVENT ADDICTION | THE GENERAL HOSPITAL CORPORATION (US) | 2011-04-21 | — | — | WO | disclosed |
| US-20090258428-A1 | METHOD FOR ANALYZING LOW MOLECULAR WEIGHT COMPOUND IN SAMPLE CONTAINING WATER-SOLUBLE POLYMER AND LOW MOLECULAR WEIGHT COMPOUND | SHOWA DENKO K.K. (JP) | 2009-10-15 | — | — | US | disclosed |
| WO-2007013651-A2 | METHOD FOR ANALYZING LOW MOLECULAR WEIGHT COMPOUND IN SAMPLE CONTAINING WATER-SOLUBLE POLYMER AND LOW MOLECULAR WEIGHT COMPOUND | SHOWA DENKO K.K. (JP) | 2007-02-01 | — | — | 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-20240189231-A1 | LIPID VESICLE COMPOSITIONS WITH PENETRATION ENHANCING AGENTS | LIPA, HDLBP, VAPB | ADORA2A 908/4885PDE4A 3317/4885PDE4B 2488/4885 |
| US-11801221-B2 | Lipid vesicle compositions with penetration enhancing agents | LIPA, HDLBP, VAPB | ADORA2A 908/4885PDE4A 3317/4885PDE4B 2488/4885 |
| US-20220218611-A1 | LIPID VESICLE COMPOSITIONS WITH PENETRATION ENHANCING AGENTS | LIPA, HDLBP, VAPB | ADORA2A 908/4885PDE4A 3317/4885PDE4B 2488/4885 |
| US-20230157954-A1 | LIPID VESICLE COMPOSITIONS WITH PENETRATION ENHANCING AGENTS | LIPA, HDLBP, VAPB | ADORA2A 908/4885PDE4A 3317/4885PDE4B 2488/4885 |
“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.