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 | 0.60 |
| ▸ | ATP4B known ✓ | P51164 | 6/20 | 0.60 |
| ▸ | BRS3 | P32247 | 2/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.60 |
| ▸ | ATP1A1 | P05023 | 5/20 | 0.60 |
| ▸ | ATP1B1 | P05026 | 5/20 | 0.60 |
| ▸ | ATP1A3 | P13637 | 5/20 | 0.60 |
| ▸ | ATP1B2 | P14415 | 5/20 | 0.60 |
| ▸ | ATP1A2 | P50993 | 5/20 | 0.60 |
| ▸ | ATP1B3 | P54709 | 5/20 | 0.60 |
| ▸ | FXYD2 | P54710 | 5/20 | 0.60 |
| ▸ | ATP1A4 | Q13733 | 5/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.60 |
| ▸ | WDR5 | P61964 | 3/20 | 0.60 |
| ▸ | HTT | P42858 | 2/20 | 0.60 |
| ▸ | DDAH1 | O94760 | 2/20 | 0.60 |
| ▸ | ENGASE | Q8NFI3 | 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 | |
|---|---|---|---|---|
| Omeprazole SCHEMBL1192 | 1.00 | BRS3 (0.62) | BRS3ATP4AATP4BCYP2C9ATP1A1 | |
| Omeprazole SCHEMBL29772327 | 1.00 | BRS3 (0.62) | BRS3ATP4AATP4BCYP2C9ATP1A1 | |
| Esomeprazole SCHEMBL19535 | 1.00 | BRS3 (0.62) | BRS3ATP4AATP4BCYP2C9ATP1A1 | |
| Omeprazole SCHEMBL29360040 | 1.00 | BRS3 (0.62) | BRS3ATP4AATP4BCYP2C9ATP1A1 | |
| Omeprazole SCHEMBL140006 | 1.00 | BRS3 (0.62) | BRS3ATP4AATP4BCYP2C9ATP1A1 | |
| Omeprazole SCHEMBL28256108 | 1.00 | BRS3 (0.62) | BRS3ATP4AATP4BCYP2C9ATP1A1 | |
| Esomeprazole SCHEMBL29691369 | 1.00 | BRS3 (0.62) | BRS3ATP4AATP4BCYP2C9ATP1A1 | |
| Omeprazole SCHEMBL2516731 | 0.99 | BRS3 (0.61) | BRS3ATP4AATP4BCYP2C9ATP1A1 | |
| Esomeprazole SCHEMBL6758624 | 0.99 | BRS3 (0.61) | BRS3ATP4AATP4BCYP2C9ATP1A1 | |
| Omeprazole SCHEMBL6320176 | 0.99 | BRS3 (0.61) | BRS3ATP4AATP4BCYP2C9ATP1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118451060-A | Pyrrole derivative or pharmaceutically acceptable salt thereof and composition for preventing, improving or treating gastrointestinal diseases comprising the same as active ingredient | 合娜制药株式会社 | 2024-08-06 | — | — | CN | disclosed |
| WO-2023090942-A1 | PYRROLE DERIVATIVE OR PHARMACEUTICALLY OR SITOLOGICALLY ACCEPTABLE SALT THEREOF, AND COMPOSITION FOR PREVENTION, AMELIORATION OR TREATMENT OF GASTROINTESTINAL DISORDERS COMPRISING SAME AS ACTIVE INGREDIENT | 하나제약 주식회사 | 2023-05-25 | — | — | WO | disclosed |