Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 10/20 | 0.54 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.49 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.46 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8084402 | 1.00 | PTGS2 (0.54) | PTGS2ESR2AKR1C2AKR1C1AKR1C3 | |
| SCHEMBL5072268 | 0.86 | PTGS2 (0.53) | PTGS2ESR2 | |
| SCHEMBL3988166 | 0.86 | PTGS2 (0.53) | PTGS2ESR2 | |
| SCHEMBL3988162 | 0.86 | PTGS2 (0.53) | PTGS2ESR2 | |
| SCHEMBL5338840 | 0.85 | ESR2 (0.58) | PTGS2ESR2 | |
| SCHEMBL5338833 | 0.85 | ESR2 (0.58) | PTGS2ESR2 | |
| SCHEMBL5340116 | 0.79 | ESR2 (0.45) | PTGS2ESR2 | |
| SCHEMBL5340111 | 0.79 | ESR2 (0.45) | PTGS2ESR2 | |
| SCHEMBL8425841 | 0.78 | PTGS2 (0.50) | PTGS2ESR2 | |
| SCHEMBL5343680 | 0.78 | ESR2 (0.44) | PTGS2ESR2 |
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-0882015-B1 | DIPHENYL STILBENES AS PRODRUGS TO COX-2 INHIBITORS | MERCK FROSST CANADA INC (CA) | 2000-12-27 | — | — | EP | claimed |
| US-5733909-A | ANTIINFLAMMATORY AGENTS; ANALGESICS; ANTIPYRETIC AGENT | MERCK FROSST CANADA, INC. (CA) | 1998-03-31 | — | — | US | claimed |
| EP-0882015-B1 | DIPHENYL STILBENES AS PRODRUGS TO COX-2 INHIBITORS | MERCK FROSST CANADA INC (CA) | 2000-12-27 | — | — | EP | disclosed |
| US-5733909-A | ANTIINFLAMMATORY AGENTS; ANALGESICS; ANTIPYRETIC AGENT | MERCK FROSST CANADA, INC. (CA) | 1998-03-31 | — | — | US | disclosed |