Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 14/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 13/20 | 0.47 |
| ▸ | KIF11 | P52732 | 2/20 | 0.45 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | PTGES | O14684 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | PDE5A | O76074 | 1/20 | 0.37 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.37 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CA3 | P07451 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL9239600 | 0.90 | KIF11 (0.48) | PTGS2PTGS1KIF11PDPK1CA12 | |
| SCHEMBL9119695 | 0.89 | PTGS2 (0.61) | PTGS2PTGS1KIF11 | |
| SCHEMBL9117625 | 0.89 | KIF11 (0.51) | PTGS2PTGS1KIF11CA12CA2 | |
| SCHEMBL9119168 | 0.88 | PTGS2 (0.47) | PTGS2PTGS1KIF11LMNA | |
| SCHEMBL9117133 | 0.88 | KIF11 (0.47) | PTGS2PTGS1KIF11CA12CA2 | |
| SCHEMBL9116462 | 0.86 | KIF11 (0.52) | PTGS2PTGS1KIF11 | |
| SCHEMBL9117699 | 0.86 | PTGS2 (0.45) | PTGS2PTGS1KIF11 | |
| SCHEMBL9118539 | 0.85 | PTGS2 (0.54) | PTGS2PTGS1KIF11CA1CA2 | |
| SCHEMBL9117719 | 0.85 | PTGS2 (0.56) | PTGS2PTGS1KIF11CA12CA1 | |
| SCHEMBL9236468 | 0.84 | PTGS2 (0.52) | PTGS2PTGS1CA12CA1CA2 |
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 |