Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 8/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.41 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5798692 | 0.91 | APP (0.37) | PTGS2AKR1C3AKR1C2APP | |
| SCHEMBL5824246 | 0.90 | APP (0.37) | PTGS2AKR1C3AKR1C2APPABCB1 | |
| SCHEMBL5797453 | 0.90 | APP (0.37) | PTGS2AKR1C3AKR1C2APPABCB1 | |
| SCHEMBL5814225 | 0.89 | APP (0.39) | PTGS2APP | |
| SCHEMBL5814349 | 0.89 | PTGS2 (0.45) | PTGS2AKR1C3AKR1C2ABCB1PTGS1 | |
| SCHEMBL5559579 | 0.89 | PTGS2 (0.46) | PTGS2AKR1C3AKR1C2ABCB1PTGS1 | |
| SCHEMBL5814350 | 0.89 | PTGS2 (0.45) | PTGS2AKR1C3AKR1C2ABCB1PTGS1 | |
| SCHEMBL5559582 | 0.89 | PTGS2 (0.46) | PTGS2AKR1C3AKR1C2ABCB1PTGS1 | |
| SCHEMBL5812156 | 0.87 | PPARG (0.39) | AKR1C3AKR1C2 | |
| SCHEMBL5554467 | 0.86 | PTGS2 (0.54) | PTGS2AKR1C3AKR1C2ABCB1PTGS1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006050120-A2 | SYNTHESIS OF COX-2 AND FAAH INHIBITORS | MICROBIA, INC. (US) | 2006-05-11 | — | — | WO | disclosed |