Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 9/20 | 0.63 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.41 |
| ▸ | GCGR | P47871 | 1/20 | 0.39 |
| ▸ | FABP3 | P05413 | 3/20 | 0.38 |
| ▸ | FABP4 | P15090 | 3/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6441345 | 0.87 | PTGS2 (0.73) | PTGS2PTGS1 | |
| SCHEMBL3865904 | 0.86 | PTGS2 (0.71) | PTGS2EPHX2KCNH2PDE4DPDE7A | |
| SCHEMBL3865233 | 0.86 | PTGS2 (0.71) | PTGS2EPHX2KCNH2PDE4DPDE7A | |
| SCHEMBL3870876 | 0.84 | PTGS2 (0.66) | PTGS2EPHX2KCNH2FABP3FABP4 | |
| SCHEMBL3869787 | 0.82 | PTGS2 (0.63) | PTGS2EPHX2KCNH2GCGRKMT2A | |
| SCHEMBL3865458 | 0.82 | PTGS2 (0.71) | PTGS2EPHX2KCNH2FABP3FABP4 | |
| SCHEMBL3869780 | 0.82 | PTGS2 (0.71) | PTGS2EPHX2KCNH2PDE4DPDE7A | |
| SCHEMBL3864394 | 0.81 | PTGS2 (0.70) | PTGS2EPHX2KCNH2FABP3FABP4 | |
| SCHEMBL3862630 | 0.80 | PTGS2 (0.55) | PTGS2EPHX2FABP3FABP4PTGS1 | |
| SCHEMBL3868473 | 0.78 | PTGS2 (0.53) | PTGS2EPHX2FABP3FABP4PTGS1 |
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 |