Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 9/20 | 0.44 |
| ▸ | KDM5A | P29375 | 1/20 | 0.41 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.41 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3864407 | 0.77 | PTGS2 (0.60) | PTGS2PTGS1 | |
| SCHEMBL6441921 | 0.69 | KDM5A (0.42) | PTGS2KDM5AKDM4CKDM5BPTGS1 | |
| SCHEMBL8195995 | 0.69 | NR3C2 (0.46) | PTGS2PTGS1MAPK14 | |
| SCHEMBL4191900 | 0.67 | PTGS2 (0.47) | PTGS2PTGS1 | |
| SCHEMBL5698465 | 0.67 | PTGS2 (0.65) | PTGS2KDM5AKDM4CKDM5BPTGS1 | |
| SCHEMBL8953896 | 0.67 | PTGS2 (0.65) | PTGS2KDM5AKDM4CKDM5BPTGS1 | |
| SCHEMBL3864216 | 0.66 | PTGS2 (0.58) | PTGS2PTGS1 | |
| SCHEMBL4199128 | 0.66 | PTGS2 (0.47) | PTGS2PTGS1 | |
| SCHEMBL3864744 | 0.65 | PTGS2 (0.61) | PTGS2PTGS1 | |
| SCHEMBL17369543 | 0.65 | PTGS2 (0.64) | PTGS2KDM5AKDM4CKDM5BPTGS1 |
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 |