Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 9/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5559582 | 1.00 | PTGS2 (0.46) | PTGS2AKR1C3AKR1C2ABCB1PTGS1 | |
| SCHEMBL5800627 | 0.91 | PTGS2 (0.36) | PTGS2 | |
| SCHEMBL5800622 | 0.91 | PTGS2 (0.36) | PTGS2 | |
| SCHEMBL6426560 | 0.90 | PTGS2 (0.41) | PTGS2AKR1C3AKR1C2ABCB1PTGS1 | |
| SCHEMBL5559475 | 0.90 | PTGS2 (0.41) | PTGS2AKR1C3AKR1C2ABCB1PTGS1 | |
| SCHEMBL5797307 | 0.90 | PTGS2 (0.36) | PTGS2AKR1C3AKR1C2ABCB1PTGS1 | |
| SCHEMBL5809718 | 0.90 | PTGS2 (0.36) | PTGS2AKR1C3AKR1C2ABCB1PTGS1 | |
| SCHEMBL5809713 | 0.90 | PTGS2 (0.36) | PTGS2AKR1C3AKR1C2ABCB1PTGS1 | |
| SCHEMBL5797301 | 0.90 | PTGS2 (0.36) | PTGS2AKR1C3AKR1C2ABCB1PTGS1 | |
| SCHEMBL5814349 | 0.90 | PTGS2 (0.45) | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1643961-A4 | COX-2 AND FAAH INHIBITORS | MICROBIA INC (US) | 2007-09-12 | — | — | EP | disclosed |
| WO-2006050120-A2 | SYNTHESIS OF COX-2 AND FAAH INHIBITORS | MICROBIA, INC. (US) | 2006-05-11 | — | — | WO | disclosed |
| EP-1643961-A2 | COX-2 AND FAAH INHIBITORS | Microbia, Inc. (US) | 2006-04-12 | — | — | EP | disclosed |
| WO-2005002525-A2 | COX-2 AND FAAH INHIBITORS | MICROBIA, INC. (US) | 2005-01-13 | — | — | WO | disclosed |