Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Esomeprazole. 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 | |
|---|---|---|---|---|
| ▸ | ATP4A known ✓ | P20648 | 6/20 | 0.48 |
| ▸ | ATP4B known ✓ | P51164 | 6/20 | 0.48 |
| ▸ | BRS3 | P32247 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.48 |
| ▸ | ATP1A1 | P05023 | 4/20 | 0.48 |
| ▸ | ATP1B1 | P05026 | 4/20 | 0.48 |
| ▸ | ATP1A3 | P13637 | 4/20 | 0.48 |
| ▸ | ATP1B2 | P14415 | 4/20 | 0.48 |
| ▸ | ATP1A2 | P50993 | 4/20 | 0.48 |
| ▸ | ATP1B3 | P54709 | 4/20 | 0.48 |
| ▸ | FXYD2 | P54710 | 4/20 | 0.48 |
| ▸ | ATP1A4 | Q13733 | 4/20 | 0.48 |
| ▸ | WDR5 | P61964 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | DDAH1 | O94760 | 2/20 | 0.48 |
| ▸ | ENGASE | Q8NFI3 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Esomeprazole SCHEMBL6864877 | 1.00 | BRS3 (0.50) | BRS3ATP4AATP4BKMT2AATP1A1 | |
| Esomeprazole SCHEMBL29002845 | 1.00 | BRS3 (0.50) | BRS3ATP4AATP4BKMT2AATP1A1 | |
| Omeprazole SCHEMBL6829013 | 1.00 | BRS3 (0.50) | BRS3ATP4AATP4BKMT2AATP1A1 | |
| Omeprazole SCHEMBL142791 | 1.00 | BRS3 (0.50) | BRS3ATP4AATP4BKMT2AATP1A1 | |
| Omeprazole SCHEMBL4371701 | 1.00 | BRS3 (0.50) | BRS3ATP4AATP4BKMT2AATP1A1 | |
| Omeprazole SCHEMBL1713666 | 1.00 | BRS3 (0.50) | BRS3ATP4AATP4BKMT2AATP1A1 | |
| Esomeprazole SCHEMBL2484203 | 1.00 | BRS3 (0.50) | BRS3ATP4AATP4BKMT2AATP1A1 | |
| Esomeprazole SCHEMBL1292977 | 0.99 | BRS3 (0.51) | BRS3ATP4AATP4BKMT2AATP1A1 | |
| Omeprazole SCHEMBL2516725 | 0.99 | BRS3 (0.51) | BRS3ATP4AATP4BKMT2AATP1A1 | |
| Omeprazole SCHEMBL18951954 | 0.99 | BRS3 (0.51) | BRS3ATP4AATP4BKMT2AATP1A1 |
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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117224496-A | Delayed-release esomeprazole magnesium enteric-coated tablet and preparation method thereof | 广州加德恩医药有限公司 | 2023-12-15 | — | — | CN | claimed |
| CN-116102538-A | Method for preparing magnesium esomeprazole trihydrate by crystal transformation | 山东省分析测试中心 | 2023-05-12 | — | — | CN | claimed |
| CN-117224496-A | Delayed-release esomeprazole magnesium enteric-coated tablet and preparation method thereof | 广州加德恩医药有限公司 | 2023-12-15 | — | — | CN | disclosed |
| CN-116855463-A | Thioether monooxygenase mutant and application thereof in preparation of chiral azole drugs | 华东理工大学 | 2023-10-10 | — | — | CN | disclosed |
| CN-116102538-A | Method for preparing magnesium esomeprazole trihydrate by crystal transformation | 山东省分析测试中心 | 2023-05-12 | — | — | CN | disclosed |
| CN-116102538-A | Method for preparing magnesium esomeprazole trihydrate by crystal transformation | 山东省分析测试中心 | 2023-05-12 | — | — | CN | disclosed |
| CN-116102538-A | Method for preparing magnesium esomeprazole trihydrate by crystal transformation | 山东省分析测试中心 | 2023-05-12 | — | — | CN | disclosed |
| CN-113278008-B | Preparation method of large-particle esomeprazole magnesium trihydrate | 寿光富康制药有限公司 | 2021-11-26 | — | — | CN | disclosed |
| CN-113278008-A | Preparation method of large-particle esomeprazole magnesium trihydrate | 寿光富康制药有限公司 | 2021-08-20 | — | — | CN | disclosed |
| US-10945972-B2 | Particulate materials | NEKTAR THERAPEUTICS (US) | 2021-03-16 | — | — | US | disclosed |
| US-20190350880-A1 | PARTICULATE MATERIALS | NEKTAR THERAPEUTICS | 2019-11-21 | — | — | US | disclosed |
| EP-1801110-A1 | Esomeprazole arginine salt | KRKA, tovarna zdravil, d.d., Novo mesto (SI) | 2007-06-27 | — | — | EP | disclosed |
| EP-1501483-A2 | PARTICULATE MATERIALS | Nektar Therapeutics UK Ltd (GB) | 2005-02-02 | — | — | EP | disclosed |
| EP-1496857-A1 | AEROSOL CONTAINING A PARTICULATE ACTIVE SUBSTANCE | Nektar Therapeutics UK Ltd (GB) | 2005-01-19 | — | — | EP | disclosed |
| US-6747155-B2 | REACTING POTASSIUM SALT WITH MAGNESIUM COMPOUND | ASTRAZENECA AB (SE) | 2004-06-08 | — | — | US | disclosed |
| US-20030232020-A1 | Particulate materials | NEKTAR THERAPEUTICS | 2003-12-18 | — | — | US | disclosed |
| US-20030223939-A1 | Particulate materials | NEKTAR THERAPEUTICS | 2003-12-04 | — | — | US | disclosed |
| WO-2003090715-A2 | PARTICULATE MATERIALS | NEKTAR THERAPEUTICS UK LTD (GB) | 2003-11-06 | — | — | WO | disclosed |
| WO-2003088945-A1 | AEROSOL CONTAINING A PARTICULATE ACTIVE SUBSTANCE | NEKTAR THERAPEUTICS UK LTD (GB) | 2003-10-30 | — | — | WO | disclosed |
| US-20030004190-A1 | Process | ASTRAZENECA AB (SE) | 2003-01-02 | — | — | US | disclosed |