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 | 0.96 |
| ▸ | PDE4B known ✓ | Q07343 | 9/20 | 0.96 |
| ▸ | PDE4C known ✓ | Q08493 | 9/20 | 0.96 |
| ▸ | PDE4D known ✓ | Q08499 | 9/20 | 0.96 |
| ▸ | ADORA2A known ✓ | P29274 | 8/20 | 0.96 |
| ▸ | ADORA2B known ✓ | P29275 | 8/20 | 0.96 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 4/20 | 0.96 |
| ▸ | ADORA1 known ✓ | P30542 | 2/20 | 0.96 |
| ▸ | PDE3B known ✓ | Q13370 | 1/20 | 0.62 |
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.62 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 1.00 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.96 |
| ▸ | ALPL | P05186 | 1/20 | 0.96 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.96 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.96 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.96 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.84 |
| ▸ | LMNA | P02545 | 1/20 | 0.84 |
| ▸ | MAPT | P10636 | 1/20 | 0.84 |
| ▸ | CFTR | P13569 | 2/20 | 0.62 |
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 SCHEMBL4915 | 1.00 | ATAD2 (1.00) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL8595167 | 1.00 | ATAD2 (1.00) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL25398274 | 1.00 | ATAD2 (1.00) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL11459710 | 0.98 | ATAD2 (0.96) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL1400606 | 0.98 | ATAD2 (0.96) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL1173080 | 0.98 | ATAD2 (0.96) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL5454758 | 0.98 | ATAD2 (0.96) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL8375983 | 0.98 | ATAD2 (0.96) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL21753826 | 0.98 | ATAD2 (0.96) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL1274777 | 0.98 | ATAD2 (0.96) | 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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105085429-A | Heteroaromatic derivative and application thereof to medicament | GUANGDONG HEC PHARMACEUTICAL | 2015-11-25 | — | — | CN | claimed |
| US-20030235555-A1 | Asthma-related anti-IL-13 immunoglobulin derived proteins, compositions, methods and uses | CENTOCOR, INC. | 2003-12-25 | — | — | US | claimed |
| US-20230371555-A1 | DEUTERATED CAFFEINE AND USES THEREOF | Lennham Pharmaceuticals, Inc. (US) | 2023-11-23 | — | — | US | disclosed |
| US-11666073-B2 | Deuterated caffeine and uses thereof | Lennham Pharmaceuticals, Inc. (US) | 2023-06-06 | — | — | US | disclosed |
| US-20220288083-A1 | D9-CAFFEINE COMPOSITIONS AND USES THEREOF | Lennham Pharmaceuticals, Inc. (US) | 2022-09-15 | — | — | US | disclosed |
| EP-3982759-A1 | DEUTERATED CAFFEINE AND USES THEREOF | Lennham Pharmaceuticals, Inc. (US) | 2022-04-20 | — | — | EP | disclosed |
| CN-114007622-A | Deuterated caffeine and application thereof | 伦纳姆制药股份有限公司 | 2022-02-01 | — | — | CN | disclosed |
| EP-3938528-A1 | METHODS AND COMPOSITIONS FOR DIAGNOSING DEPRESSION | Duke University (US) | 2022-01-19 | — | — | EP | disclosed |
| US-20210378266-A9 | DEUTERATED CAFFEINE AND USES THEREOF | Lennham Pharmaceuticals, Inc. (US) | 2021-12-09 | — | — | US | disclosed |
| US-20210068429-A1 | DEUTERATED CAFFEINE AND USES THEREOF | Lennham Pharmaceuticals, Inc. (US) | 2021-03-11 | — | — | US | disclosed |
| US-10906979-B2 | IL3Ralpha antibody conjugates and uses thereof | STEMLINE THERAPEUTICS, INC. (US) | 2021-02-02 | — | — | US | disclosed |
| US-4966770-A | Prednisone microencapsulated granules | HIMEDICS, INC. (US) | 1990-10-30 | — | — | US | disclosed |
| WO-1990009781-A1 | THERAPEUTIC AEROSOL FORMULATIONS | RORER INTERNATIONAL (HOLDINGS), INC. (US) | 1990-09-07 | — | — | WO | disclosed |
| US-4925675-A | DRUG DELIVERY; DISPERSERS; SIDE EFFECT REDUCTION; HIGH SPEED; HYDROXYPROPYL METHYL CELLULOSE PHTHALATE | HIMEDICS, INC. (US) | 1990-05-15 | — | — | US | disclosed |
| US-4925674-A | Mixture with binder | HIMEDICS, INC. (US) | 1990-05-15 | — | — | US | disclosed |
| US-4837032-A | WATER SOLUBLE POLYMER AND HYDROPHILIC GEL FORMER | FARVAL AG (CH) | 1989-06-06 | — | — | US | disclosed |
| EP-0230449-A1 | SENSOR HAVING ION-SELECTIVE ELECTRODES | EOS TECHNOLOGY CORPORATION (US) | 1987-08-05 | — | — | EP | disclosed |
| WO-1987000286-A1 | SENSOR HAVING ION-SELECTIVE ELECTRODES | ILEX CORPORATION (US) | 1987-01-15 | — | — | WO | disclosed |
| EP-0169236-A1 | CONTROLLED RELEASE LIQUID DOSAGE FORMULATIONS FOR PHARMACEUTICALS | BATTELLE DEVELOPMENT CORPORATION (US) | 1986-01-29 | — | — | EP | disclosed |
| WO-1985003000-A1 | CONTROLLED RELEASE LIQUID DOSAGE FORMULATIONS FOR PHARMACEUTICALS | BATTELLE DEVELOPMENT CORPORATION (US) | 1985-07-18 | — | — | 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 (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-20220288083-A1 | D9-CAFFEINE COMPOSITIONS AND USES THEREOF | SCN9A, CCR9, ADCY9 | PDE4A 336/4885PDE4B 209/4885PDE4C 277/4885 |
“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.