Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 7/20 | 0.38 |
| ▸ | ESR1 | P03372 | 3/20 | 0.36 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.33 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5813384 | 1.00 | PTGS2 (0.38) | PTGS2ESR1NOD2NOD1ALDH1A1 | |
| SCHEMBL5801009 | 0.95 | ESR1 (0.38) | PTGS2ESR1NOD2NOD1TSHR | |
| SCHEMBL5801013 | 0.95 | ESR1 (0.38) | PTGS2ESR1NOD2NOD1TSHR | |
| SCHEMBL5808086 | 0.95 | PTGS2 (0.36) | PTGS2TSHR | |
| SCHEMBL5808087 | 0.95 | PTGS2 (0.36) | PTGS2TSHR | |
| SCHEMBL5796756 | 0.93 | PTGS2 (0.39) | PTGS2ESR1ALDH1A1MAPTNPSR1 | |
| SCHEMBL5796759 | 0.93 | PTGS2 (0.39) | PTGS2ESR1ALDH1A1MAPTNPSR1 | |
| SCHEMBL5797064 | 0.91 | PTGS2 (0.47) | PTGS2 | |
| SCHEMBL5797067 | 0.91 | PTGS2 (0.47) | PTGS2 | |
| SCHEMBL5813255 | 0.90 | PTGS2 (0.39) | PTGS2ESR1ALDH1A1 |
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 |