Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | ATP1A1 | P05023 | 4/20 | 0.37 |
| ▸ | ATP1B1 | P05026 | 4/20 | 0.37 |
| ▸ | ATP1A3 | P13637 | 4/20 | 0.37 |
| ▸ | ATP1B2 | P14415 | 4/20 | 0.37 |
| ▸ | ATP4A | P20648 | 4/20 | 0.37 |
| ▸ | ATP1A2 | P50993 | 4/20 | 0.37 |
| ▸ | ATP4B | P51164 | 4/20 | 0.37 |
| ▸ | ATP1B3 | P54709 | 4/20 | 0.37 |
| ▸ | FXYD2 | P54710 | 4/20 | 0.37 |
| ▸ | ATP1A4 | Q13733 | 4/20 | 0.37 |
| ▸ | WDR5 | P61964 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | PKM | P14618 | 3/20 | 0.37 |
| ▸ | DDAH1 | O94760 | 2/20 | 0.37 |
| ▸ | BRS3 | P32247 | 2/20 | 0.37 |
| ▸ | ENGASE | Q8NFI3 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5725280 | 0.81 | BRS3 (0.55) | CYP2C9ATP1A1ATP1B1ATP1A3ATP1B2 | |
| SCHEMBL5764036 | 0.80 | CYP2C9 (0.40) | CYP2C9ATP1A1ATP1B1ATP1A3ATP1B2 | |
| SCHEMBL1907465 | 0.76 | CYP2C9 (0.62) | CYP2C9ATP1A1ATP1B1ATP1A3ATP1B2 | |
| SCHEMBL15232323 | 0.76 | CYP2C9 (0.74) | CYP2C9ATP1A1ATP1B1ATP1A3ATP1B2 | |
| Water SCHEMBL7174113 | 0.75 | CYP2C9 (0.61) | CYP2C9ATP1A1ATP1B1ATP1A3ATP1B2 | |
| SCHEMBL8787829 | 0.75 | CYP2C9 (0.61) | CYP2C9ATP1A1ATP1B1ATP1A3ATP1B2 | |
| SCHEMBL4564490 | 0.75 | CYP2C9 (0.61) | CYP2C9ATP1A1ATP1B1ATP1A3ATP1B2 | |
| SCHEMBL8787822 | 0.75 | CYP2C9 (0.61) | CYP2C9ATP1A1ATP1B1ATP1A3ATP1B2 | |
| SCHEMBL4564707 | 0.75 | CYP2C9 (0.61) | CYP2C9ATP1A1ATP1B1ATP1A3ATP1B2 | |
| Water SCHEMBL4565659 | 0.74 | CYP2C9 (0.60) | CYP2C9ATP1A1ATP1B1ATP1A3ATP1B2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1644352-A1 | PROCESS FOR PREPARING ISOMERICALLY PURE PRODRUGS OF PROTON PUMP INHIBITORS | Allergan, Inc. (US) | 2006-04-12 | — | — | EP | disclosed |
| WO-2005016917-A1 | PROCESS FOR PREPARING ISOMERICALLY PURE PRODRUGS OF PROTON PUMP INHIBITORS | ALLERGAN, INC. (US) | 2005-02-24 | — | — | WO | disclosed |