Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 9/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL5559333 | 0.98 | PTGS2 (0.43) | PTGS2AKR1C3AKR1C2PTGS1 | |
| SCHEMBL5800554 | 0.90 | PTGS2 (0.38) | PTGS2AKR1C3AKR1C2CYP19A1 | |
| SCHEMBL5560260 | 0.90 | PTGS2 (0.37) | PTGS2CYP19A1PTGS1 | |
| SCHEMBL5819680 | 0.90 | PTGS2 (0.37) | PTGS2AKR1C3AKR1C2CYP19A1 | |
| SCHEMBL5800993 | 0.90 | PTGS2 (0.37) | PTGS2CYP19A1 | |
| SCHEMBL5800295 | 0.89 | TSHR (0.36) | PTGS2AKR1C3AKR1C2CYP19A1 | |
| SCHEMBL5801005 | 0.88 | PTGS2 (0.44) | PTGS2AKR1C3AKR1C2CYP19A1SMN1; SMN2 | |
| SCHEMBL5558388 | 0.88 | PTGS2 (0.35) | PTGS2AKR1C3AKR1C2CYP19A1 | |
| SCHEMBL5822674 | 0.88 | PTGS2 (0.36) | PTGS2AKR1C3AKR1C2CYP19A1 | |
| SCHEMBL5800052 | 0.88 | PTGS2 (0.39) | PTGS2 |
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 |