Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 13/20 | 0.53 |
| ▸ | PTGS1 | P23219 | 7/20 | 0.53 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
| ▸ | ROS1 | P08922 | 1/20 | 0.36 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.36 |
| ▸ | NPY5R | Q15761 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL7179556 | 0.86 | PTGS2 (0.67) | PTGS2PTGS1CYP2A6ABCC4ABCB11 | |
| SCHEMBL29612604 | 0.73 | PTGS2 (0.65) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| SCHEMBL29612620 | 0.73 | PTGS2 (0.65) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| SCHEMBL2126090 | 0.73 | PTGS2 (0.65) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| SCHEMBL29612911 | 0.73 | PTGS2 (0.65) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| SCHEMBL2126815 | 0.73 | PTGS2 (0.65) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| SCHEMBL2126117 | 0.73 | PTGS2 (0.65) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| SCHEMBL28852822 | 0.72 | PTGS2 (0.67) | PTGS2PTGS1CYP2A6ABCC4ABCB11 | |
| SCHEMBL16794565 | 0.71 | PTGS2 (0.63) | PTGS2PTGS1CYP2A6NPY5R | |
| SCHEMBL28381017 | 0.70 | PTGS2 (0.44) | PTGS2PTGS1CYP2A6ROS1NPY5R |
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-1592666-A1 | 2,3 -BIPYRIDINES DERIVATIVES AS SELECTIVE COX-2 INHIBITORS | Almirall Prodesfarma, S.A. (ES) | 2005-11-09 | — | — | EP | disclosed |
| WO-2004072037-A1 | 2,3'-BIPYRIDINES DERIVATIVES AS SELECTIVE COX-2 INHIBITORS | ALMIRALL PRODESFARMA S.A. (ES) | 2004-08-26 | — | — | WO | disclosed |