Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 7/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.38 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3480364 | 1.00 | PTGS2 (0.45) | PTGS2AKR1C3AKR1C2AKR1C1ESR2 | |
| SCHEMBL3480365 | 1.00 | PTGS2 (0.45) | PTGS2AKR1C3AKR1C2AKR1C1ESR2 | |
| SCHEMBL8421848 | 0.99 | PTGS2 (0.44) | PTGS2AKR1C3AKR1C2AKR1C1ESR2 | |
| SCHEMBL8421855 | 0.99 | PTGS2 (0.44) | PTGS2AKR1C3AKR1C2AKR1C1ESR2 | |
| SCHEMBL3480502 | 0.96 | PTGS2 (0.42) | PTGS2AKR1C3AKR1C2AKR1C1ESR2 | |
| SCHEMBL3480499 | 0.96 | PTGS2 (0.42) | PTGS2AKR1C3AKR1C2AKR1C1ESR2 | |
| SCHEMBL8421850 | 0.90 | PTGS2 (0.44) | PTGS2ESR2 | |
| SCHEMBL3864947 | 0.87 | PTGS2 (0.48) | PTGS2AKR1C3AKR1C2AKR1C1ESR2 | |
| SCHEMBL3864943 | 0.87 | PTGS2 (0.48) | PTGS2AKR1C3AKR1C2AKR1C1ESR2 | |
| SCHEMBL5798190 | 0.86 | AKR1C3 (0.48) | PTGS2AKR1C3AKR1C2AKR1C1ESR2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0788476-B1 | STILBENE DERIVATIVES USEFUL AS CYCLOOXYGENASE-2 INHIBITORS | MERCK FROSST CANADA INC (CA) | 1999-10-20 | — | — | EP | claimed |
| US-5849943-A | Stilbene derivatives useful as cyclooxygenase-2 inhibitors | MERCK FROSST CANADA, INC. (CA) | 1998-12-15 | — | — | US | claimed |
| EP-0788476-A1 | STILBENE DERIVATIVES USEFUL AS CYCLOOXYGENASE-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1997-08-13 | — | — | EP | claimed |
| WO-1996013483-A1 | STILBENE DERIVATIVES USEFUL AS CYCLOOXYGENASE-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1996-05-09 | — | — | WO | claimed |
| WO-2006044230-A1 | WATER SOLUBLE PRODRUGS OF COX-2 INHIBITORS | MERCK & CO., INC. (US) | 2006-04-27 | — | — | WO | disclosed |