Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ATP4A | P20648 | 5/20 | 0.36 |
| ▸ | ATP4B | P51164 | 5/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | WDR5 | P61964 | 2/20 | 0.36 |
| ▸ | BRS3 | P32247 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | ATP1A1 | P05023 | 2/20 | 0.36 |
| ▸ | ATP1B1 | P05026 | 2/20 | 0.36 |
| ▸ | ATP1A3 | P13637 | 2/20 | 0.36 |
| ▸ | ATP1B2 | P14415 | 2/20 | 0.36 |
| ▸ | ATP1A2 | P50993 | 2/20 | 0.36 |
| ▸ | ATP1B3 | P54709 | 2/20 | 0.36 |
| ▸ | FXYD2 | P54710 | 2/20 | 0.36 |
| ▸ | ATP1A4 | Q13733 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5320377 | 0.78 | ATP4A (0.41) | CYP2C9POLBATP4AATP4BALDH1A1 | |
| SCHEMBL5370623 | 0.75 | MAPK1 (0.39) | CYP2C9POLBGAATSHRATP4A | |
| Agn-201904 SCHEMBL29596867 | 0.74 | CYP2C9 (0.41) | CYP2C9POLBGAATSHRATP4A | |
| Agn-201904 SCHEMBL5764653 | 0.74 | CYP2C9 (0.41) | CYP2C9POLBGAATSHRATP4A | |
| Agn-201904 SCHEMBL5330690 | 0.74 | CYP2C9 (0.41) | CYP2C9POLBGAATSHRATP4A | |
| Agn-201904 SCHEMBL2245875 | 0.74 | CYP2C9 (0.41) | CYP2C9POLBGAATSHRATP4A | |
| Agn-201904 SCHEMBL5764638 | 0.74 | CYP2C9 (0.40) | CYP2C9POLBGAATSHRATP4A | |
| SCHEMBL5724545 | 0.74 | CYP2C9 (0.47) | CYP2C9GAAATP4AATP4BKMT2A | |
| SCHEMBL5763595 | 0.73 | CYP2C9 (0.42) | CYP2C9POLBGAATSHRATP4A | |
| SCHEMBL5332714 | 0.73 | CYP2C9 (0.42) | CYP2C9POLBGAATSHRATP4A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007100984-A2 | BEADS CONTAINING PYRIDIN-SULFINYL BENZOIMIDAZOLE SULFONYL PHENOXY ACETATE DERIVATIVES | ALLERGAN, INC. (US) | 2007-09-07 | — | — | WO | claimed |
| WO-2007100984-A2 | BEADS CONTAINING PYRIDIN-SULFINYL BENZOIMIDAZOLE SULFONYL PHENOXY ACETATE DERIVATIVES | ALLERGAN, INC. (US) | 2007-09-07 | — | — | WO | disclosed |
| WO-2007081871-A1 | THERAPEUTIC SALT COMPOSITIONS OF SULFONYL ESTER PRODRUGS OF PROTON PUMP INHIBITORS AND METHODS FOR THEIR PREPARATION | ALLERGAN, INC. (US) | 2007-07-19 | — | — | WO | disclosed |