Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.45 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 3/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.32 |
| ▸ | RORC | P51449 | 1/20 | 0.31 |
| ▸ | NAMPT | P43490 | 1/20 | 0.31 |
| ▸ | ELANE | P08246 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9117793 | 0.89 | PTGS2 (0.45) | PTGS2PTGS1NOTUMKIF11RORC | |
| SCHEMBL9117809 | 0.87 | PTGS2 (0.46) | PTGS2PTGS1CTSSCTSKKIF11 | |
| SCHEMBL9117956 | 0.87 | PTGS1 (0.43) | PTGS2PTGS1PDE3BPDE3ANOTUM | |
| SCHEMBL9119695 | 0.87 | PTGS2 (0.61) | PTGS2PTGS1PDE3BPDE3AKIF11 | |
| SCHEMBL9118021 | 0.87 | PTGS2 (0.50) | PTGS2PTGS1 | |
| SCHEMBL9115793 | 0.86 | PTGS2 (0.46) | PTGS2PTGS1PDE3BPDE3ANOTUM | |
| SCHEMBL9119168 | 0.86 | PTGS2 (0.47) | PTGS2PTGS1PDE3BPDE3ANOTUM | |
| SCHEMBL9239696 | 0.86 | PTGS2 (0.47) | PTGS2PTGS1KIF11 | |
| SCHEMBL9118660 | 0.82 | PTGS1 (0.48) | PTGS2PTGS1 | |
| SCHEMBL9119913 | 0.82 | PTGS2 (0.51) | PTGS2PTGS1 |
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-1995030652-A1 | SUBSTITUTED SPIRODIENES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1995-11-16 | — | — | WO | disclosed |