Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 4/20 | 0.51 |
| ▸ | MAPT | P10636 | 4/20 | 0.51 |
| ▸ | ATP4A | P20648 | 4/20 | 0.51 |
| ▸ | ATP4B | P51164 | 4/20 | 0.51 |
| ▸ | WDR5 | P61964 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | ENGASE | Q8NFI3 | 3/20 | 0.51 |
| ▸ | SARM1 | Q6SZW1 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | ATP1A1 | P05023 | 3/20 | 0.51 |
| ▸ | ATP1B1 | P05026 | 3/20 | 0.51 |
| ▸ | ATP1A3 | P13637 | 3/20 | 0.51 |
| ▸ | ATP1B2 | P14415 | 3/20 | 0.51 |
| ▸ | ATP1A2 | P50993 | 3/20 | 0.51 |
| ▸ | ATP1B3 | P54709 | 3/20 | 0.51 |
| ▸ | FXYD2 | P54710 | 3/20 | 0.51 |
| ▸ | ATP1A4 | Q13733 | 3/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL2365467 | 0.94 | CYP2C9 (0.52) | CYP2C9MAPTATP4AATP4BWDR5 | |
| SCHEMBL2365470 | 0.94 | CYP2C9 (0.52) | CYP2C9MAPTATP4AATP4BWDR5 | |
| Propylene Glycol SCHEMBL2364761 | 0.92 | CYP2C9 (0.54) | CYP2C9MAPTATP4AATP4BWDR5 | |
| SCHEMBL2364997 | 0.90 | CYP2C9 (0.60) | CYP2C9MAPTATP4AATP4BWDR5 | |
| 1,4-Butanediol SCHEMBL2365476 | 0.89 | CYP2C9 (0.55) | CYP2C9MAPTATP4AATP4BWDR5 | |
| Ethylene Glycol SCHEMBL2364760 | 0.86 | CYP2C9 (0.53) | CYP2C9MAPTATP4AATP4BWDR5 | |
| Dexlansoprazole SCHEMBL14482363 | 0.78 | CYP2C9 (0.52) | CYP2C9MAPTATP4AATP4BWDR5 | |
| SCHEMBL5437937 | 0.77 | KMT2A (0.54) | CYP2C9MAPTATP4AATP4BWDR5 | |
| SCHEMBL106666 | 0.77 | CYP2C9 (0.63) | CYP2C9MAPTATP4AATP4BWDR5 | |
| SCHEMBL30052062 | 0.77 | CYP2C9 (0.63) | CYP2C9MAPTATP4AATP4BWDR5 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011098938-A1 | NOVEL SOLVATE OF DEXLANSOPRAZOLE | ORCHID CHEMICALS AND PHARMACEUTICALS LIMITED (IN) | 2011-08-18 | — | — | WO | disclosed |