Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 18/20 | 0.67 |
| ▸ | PTGS1 | P23219 | 10/20 | 0.67 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.47 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.47 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.47 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.47 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6276011 | 0.86 | PTGS2 (0.53) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| SCHEMBL29612620 | 0.85 | PTGS2 (0.65) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| SCHEMBL29612604 | 0.85 | PTGS2 (0.65) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| SCHEMBL2126815 | 0.85 | PTGS2 (0.65) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| SCHEMBL2126117 | 0.85 | PTGS2 (0.65) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| SCHEMBL29612911 | 0.85 | PTGS2 (0.65) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| SCHEMBL2126090 | 0.85 | PTGS2 (0.65) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| SCHEMBL16794565 | 0.83 | PTGS2 (0.63) | PTGS2PTGS1CYP2A6 | |
| SCHEMBL28852822 | 0.81 | PTGS2 (0.67) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| SCHEMBL29080600 | 0.81 | PTGS2 (0.44) | PTGS2PTGS1CNR1CNR2CYP2A6 |
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-1322311-A1 | TREATMENT OF INFLAMMATION WITH A COMBINATION OF A CYCLOOXYGENASE-2 INHIBITOR AND AN INTEGRIN ALPHA-V ANTAGONIST | Merck & Co., Inc. (US) | 2003-07-02 | — | — | EP | claimed |
| WO-2002022124-A1 | TREATMENT OF INFLAMMATION WITH A COMBINATION OF A CYCLOOXYGENASE-2 INHIBITOR AND AN INTEGRIN ALPHA-V ANTAGONIST | MERCK & CO., INC. (US) | 2002-03-21 | — | — | WO | claimed |