Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.39 |
| ▸ | CCR1 | P32246 | 1/20 | 0.38 |
| ▸ | CCR5 | P51681 | 1/20 | 0.38 |
| ▸ | CCR8 | P51685 | 1/20 | 0.38 |
| ▸ | AGXT | P21549 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
| ▸ | NOS1 | P29475 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL189901 | 0.98 | HSP90AA1 (0.38) | HSP90AA1HSP90AB1CCR1CCR5CCR8 | |
| SCHEMBL29403914 | 0.82 | HSP90AA1 (0.42) | HSP90AA1HSP90AB1CCR1CCR5CCR8 | |
| SCHEMBL2112799 | 0.82 | HSP90AA1 (0.42) | HSP90AA1HSP90AB1CCR1CCR5CCR8 | |
| SCHEMBL3397521 | 0.80 | AGXT (0.33) | CCR1CCR5CCR8AGXT | |
| SCHEMBL3392830 | 0.80 | HSP90AA1 (0.43) | HSP90AA1HSP90AB1CCR1CCR5CCR8 | |
| SCHEMBL29400900 | 0.80 | AGXT (0.33) | CCR1CCR5CCR8AGXT | |
| Hydrochloric Acid SCHEMBL3179318 | 0.80 | HSP90AA1 (0.41) | HSP90AA1HSP90AB1CCR1CCR5CCR8 | |
| Hydrochloric Acid SCHEMBL8063831 | 0.79 | AGXT (0.33) | AGXT | |
| SCHEMBL2629578 | 0.79 | NOS3 (0.33) | AGXTNOS3NOS2 | |
| SCHEMBL22820306 | 0.78 | CCR1 (0.39) | HSP90AA1HSP90AB1CCR1CCR5CCR8 |
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-0240158-B1 | BENZIMIDAZOLE DERIVATIVES | TOKYO TANABE COMPANY LIMITED (JP) | 1991-04-03 | — | — | EP | claimed |
| WO-2011012957-A1 | AN IMPROVED PROCESS FOR THE PREPARATION OF ESOMEPRAZOLE MAGNESIUM DIHYDRATE | ORCHID CHEMICALS & PHARMACEUTICALS LTD (IN) | 2011-02-03 | — | — | WO | disclosed |