Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 2/20 | 0.33 |
| ▸ | JAK1 | P23458 | 2/20 | 0.33 |
| ▸ | TYK2 | P29597 | 2/20 | 0.33 |
| ▸ | JAK3 | P52333 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6438697 | 0.86 | PTGS2 (0.40) | JAK2JAK1TYK2JAK3 | |
| SCHEMBL6437926 | 0.81 | PTGS2 (0.39) | JAK2JAK1TYK2JAK3 | |
| SCHEMBL6440473 | 0.74 | GAA (0.43) | GAA | |
| SCHEMBL6442323 | 0.72 | GAA (0.40) | GAA | |
| SCHEMBL6444360 | 0.71 | ALDH1A1 (0.36) | GAA | |
| SCHEMBL5150592 | 0.71 | ALDH1A1 (0.36) | GAA | |
| SCHEMBL3866503 | 0.67 | PTGS2 (0.39) | — | |
| SCHEMBL4957820 | 0.65 | CDK1 (0.36) | GAA | |
| SCHEMBL3864227 | 0.62 | PTGS2 (0.38) | — | |
| SCHEMBL6438872 | 0.62 | PTGS2 (0.47) | JAK2JAK1TYK2JAK3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1534683-A4 | CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED INC (US) | 2005-08-24 | — | — | EP | disclosed |
| EP-1534683-A2 | CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | Nitromed, Inc. (US) | 2005-06-01 | — | — | EP | disclosed |
| WO-2004002409-A2 | CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2004-01-08 | — | — | WO | disclosed |