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 | 0.93 |
| ▸ | PDE4B known ✓ | Q07343 | 9/20 | 0.93 |
| ▸ | PDE4C known ✓ | Q08493 | 9/20 | 0.93 |
| ▸ | PDE4D known ✓ | Q08499 | 9/20 | 0.93 |
| ▸ | ADORA2A known ✓ | P29274 | 8/20 | 0.93 |
| ▸ | ADORA2B known ✓ | P29275 | 8/20 | 0.93 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 4/20 | 0.93 |
| ▸ | ADORA1 known ✓ | P30542 | 2/20 | 0.93 |
| ▸ | PDE3B known ✓ | Q13370 | 1/20 | 0.60 |
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.60 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.96 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.93 |
| ▸ | ALPL | P05186 | 1/20 | 0.93 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.93 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.93 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.93 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.81 |
| ▸ | LMNA | P02545 | 1/20 | 0.81 |
| ▸ | MAPT | P10636 | 1/20 | 0.81 |
| ▸ | CFTR | P13569 | 2/20 | 0.60 |
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 SCHEMBL25398274 | 0.98 | ATAD2 (1.00) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL4915 | 0.98 | ATAD2 (1.00) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL3051675 | 0.98 | ATAD2 (1.00) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL11459710 | 0.96 | ATAD2 (0.96) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL7721325 | 0.96 | ATAD2 (0.96) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL8966477 | 0.96 | ATAD2 (0.96) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL1274777 | 0.96 | ATAD2 (0.96) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL5454758 | 0.96 | ATAD2 (0.96) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL21753826 | 0.96 | ATAD2 (0.96) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL1173080 | 0.96 | 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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210391038-A1 | SPECIFICALLY-SHAPED CRYSTAL OF COMPOUND AND METHOD FOR PRODUCING SAME | TOWA PHARMACEUTICAL CO., LTD. (JP) | 2021-12-16 | — | — | US | disclosed |
| US-20210313015-A1 | SPECIFICALLY-SHAPED CRYSTAL OF COMPOUND AND METHOD FOR PRODUCING SAME | TOWA PHARMACEUTICAL CO., LTD. (JP) | 2021-10-07 | — | — | US | disclosed |
| EP-3842575-A1 | SPECIFICALLY-SHAPED CRYSTAL OF COMPOUND AND METHOD FOR PRODUCING SAME | TOWA PHARMACEUTICAL CO., LTD. (JP) | 2021-06-30 | — | — | EP | disclosed |
| CN-110256434-B | Method for preparing high-purity diprophylline | 上海万巷制药有限公司 | 2020-11-10 | — | — | CN | disclosed |
| WO-2020040233-A1 | SPECIFICALLY-SHAPED CRYSTAL OF COMPOUND AND METHOD FOR PRODUCING SAME | 東和薬品株式会社 | 2020-02-27 | — | — | WO | disclosed |
| EP-0901663-A1 | SYSTEM AND METHOD FOR AUTOMATIC CRITICAL EVENT NOTIFICATION | Cedars-Sinai Medical Center (US) | 1999-03-17 | — | — | EP | disclosed |
| WO-1997006499-A1 | SYSTEM AND METHOD FOR AUTOMATIC CRITICAL EVENT NOTIFICATION | CEDARS-SINAI MEDICAL CENTER (US) | 1997-02-20 | — | — | WO | disclosed |
| US-4565817-A | ANTITUSSIVE AGENTS | CHINOIN GYOGYSZER-ES VEGYESZETI TERMEKEK GYARA R.T. (HU) | 1986-01-21 | — | — | US | disclosed |
| US-4535158-A | CHEMICXAL INTERMEDIATES FOR CARDIOTONIC AGENTS | DR. WILLMAR SCHWABE GMBH & CO. | 1985-08-13 | — | — | US | disclosed |
| US-4413122-A | Optionally N-substituted aminodesoxy-1.4;3.6-dianhydrohexitol derivatives | FA. WILMAR SCHWABE GMBH & CO. (DE) | 1983-11-01 | — | — | US | disclosed |
| US-4060618-A | Quaternary xanthinylalkyl nortropine | DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) | 1977-11-29 | — | — | US | 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-20210313015-A1 | SPECIFICALLY-SHAPED CRYSTAL OF COMPOUND AND METHOD FOR PRODUCING SAME | NOTUM, SOAT1, GYS2 | PDE4A 2988/4885PDE4B 1976/4885PDE4C 2130/4885 |
| US-20210391038-A1 | SPECIFICALLY-SHAPED CRYSTAL OF COMPOUND AND METHOD FOR PRODUCING SAME | NOTUM, SOAT1, GYS2 | PDE4A 2988/4885PDE4B 1976/4885PDE4C 2130/4885 |
“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.