Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 14/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.44 |
| ▸ | JAK2 | O60674 | 2/20 | 0.43 |
| ▸ | JAK3 | P52333 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3383807 | 0.85 | ALDH1A1 (0.45) | AKR1C3AKR1C1 | |
| SCHEMBL15754580 | 0.72 | ALDH1A1 (0.54) | AKR1C3AKR1C1 | |
| SCHEMBL3248259 | 0.72 | PTGS2 (0.61) | PTGS2PTGS1JAK2 | |
| SCHEMBL6789830 | 0.70 | PTGS2 (0.68) | PTGS2PTGS1 | |
| SCHEMBL2510446 | 0.70 | IDO1 (0.42) | PTGS2PTGS1AKR1C3AKR1C1 | |
| SCHEMBL3873486 | 0.69 | CA12 (0.52) | PTGS2PTGS1 | |
| SCHEMBL5502727 | 0.69 | PTGS2 (1.00) | PTGS2PTGS1 | |
| SCHEMBL4638273 | 0.69 | NOTUM (0.58) | PTGS2 | |
| SCHEMBL1367745 | 0.69 | MARS1 (0.44) | — | |
| SCHEMBL22204516 | 0.68 | GRM5 (0.40) | AKR1C3AKR1C1 |
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 |