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 | 0.81 |
| ▸ | PDE4B known ✓ | Q07343 | 9/20 | 0.81 |
| ▸ | PDE4C known ✓ | Q08493 | 9/20 | 0.81 |
| ▸ | PDE4D known ✓ | Q08499 | 9/20 | 0.81 |
| ▸ | ADORA2B known ✓ | P29275 | 8/20 | 0.81 |
| ▸ | ADORA2A known ✓ | P29274 | 7/20 | 0.81 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 5/20 | 0.81 |
| ▸ | ADORA1 known ✓ | P30542 | 2/20 | 0.81 |
| ▸ | PDE3B known ✓ | Q13370 | 1/20 | 0.55 |
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.55 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.84 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.81 |
| ▸ | ALPL | P05186 | 1/20 | 0.81 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.81 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.81 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.81 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.72 |
| ▸ | LMNA | P02545 | 1/20 | 0.72 |
| ▸ | MAPT | P10636 | 1/20 | 0.72 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.58 |
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 SCHEMBL21807730 | 0.98 | ATAD2 (0.81) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL27923974 | 0.97 | ATAD2 (0.79) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL20771721 | 0.95 | ATAD2 (0.93) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL3183899 | 0.94 | ATAD2 (0.74) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL11793876 | 0.93 | CYP1A2 (0.86) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL2233008 | 0.93 | ATAD2 (0.72) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL3797680 | 0.92 | ATAD2 (0.81) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL28707336 | 0.92 | ATAD2 (0.93) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL25398274 | 0.92 | ATAD2 (1.00) | ATAD2PDE4APDE4BPDE4CPDE4D | |
| Theophylline Anhydrous SCHEMBL8595167 | 0.92 | 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
Appears in 2324 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119707973-A | Preparation method and application of theophylline derivative with targeting IDO1 | 新乡学院 | 2025-03-28 | — | — | CN | claimed |
| US-12128121-B2 | Compositions comprising organo-silanol compounds, and applications | EXSYMOL (MC) | 2024-10-29 | — | — | US | claimed |
| CN-118641765-A | Use of TINAGL A in preparing anti-hepatic fibrosis medicine and new use of compound | 中国医学科学院医药生物技术研究所 | 2024-09-13 | — | — | CN | claimed |
| CN-118512392-A | Preparation method of photo-stable sulfadiazine sodium injection | 湖南湘易康制药有限公司 | 2024-08-20 | — | — | CN | claimed |
| CN-116390711-B | Composition containing organosilane alcohol compound and application thereof | 爱西美有限公司 | 2024-07-30 | — | — | CN | claimed |
| 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 |
| CN-114671874-B | Theophylline acetic acid derivative with anti-tumor activity and preparation method and application thereof | 济南爱思医药科技有限公司 | 2024-02-02 | — | — | CN | claimed |
| CN-116655635-B | Black tea theophylline derivative and application thereof in preparation of medicines | 济南爱思医药科技有限公司 | 2024-01-26 | — | — | CN | claimed |
| EP-4153603-B1 | COMPOSITIONS COMPRISING ORGANO-SILANOL COMPOUNDS, AND APPLICATIONS | EXSYMOL SA (MC) | 2023-11-01 | — | — | EP | claimed |
| CN-116655635-A | Black tea theophylline derivative and application thereof in preparation of medicines | 济南爱思医药科技有限公司 | 2023-08-29 | — | — | CN | claimed |
| CN-1356981-A | Pharmaceutical compounds | NICOX SA (FR) | 2002-07-03 | — | — | CN | claimed |
| CN-1354740-A | Pharmaceutical compounds | NICOX SA (FR) | 2002-06-19 | — | — | CN | claimed |
| WO-2002016338-A1 | AMINOALKENYLBENZOYL-BENZOFURAN OR BENZOTHIOPHENE DERIVATIVES, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME | SANOFI-SYNTHELABO (FR) | 2002-02-28 | — | — | WO | claimed |
| WO-2002016339-A1 | AMINOALKYLBENZOYL-BENZOFURAN OR BENZOTHIOPHENE DERIVATIVES, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME | SANOFI-SYNTHELABO (FR) | 2002-02-28 | — | — | WO | claimed |
| US-6197986-B1 | PHOSPHATO- OR PHOSPHONOALKYLSILANEDIOLS, TRIOLS; DRUGS, COSMETICS | EXSYMOL S.A.M. (FR) | 2001-03-06 | — | — | US | claimed |
| US-6153207-A | A GARMENT FOR TREATING THE SKIN WITH AN ACTIVE INGREDIENT SUCH AS THEOPHYLLINE BEING BOUND TO THE BINDING AGENT, WHICH IS SENSITIVE TO SKIN PH, SKIN MOISTURE AND SKIN HEAT; ACTIVATOR ARE RELEASED TO THE SKIN WHEN THE GARMENT IS WORN | PUGLIESE, PETER T. | 2000-11-28 | — | — | US | claimed |
| CN-1235795-A | Anti-cellulite pantyhose | VITORIA S SECRET STORES INC (US) | 1999-11-24 | — | — | CN | claimed |
| EP-0955043-A2 | Anti-cellulite pantyhose | Victoria's Secret Stores, Inc. (US) | 1999-11-10 | — | — | EP | claimed |
| US-5037803-A | An aqueous solution containing a protein which fixes active substance to the skin | BONDON, JACQUES | 1991-08-06 | — | — | US | claimed |
| EP-0307277-B1 | PRODUCT ON A SILANOL BASIS FOR THE CARE OF THE SUPERFICIAL LYMPHATIC VESSELS | Seguin, Marie-Christine (MC) | 1991-07-24 | — | — | EP | claimed |