Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 12/20 | 0.70 |
| ▸ | PTGS1 | P23219 | 7/20 | 0.70 |
| ▸ | MELK | Q14680 | 1/20 | 0.43 |
| ▸ | MAPK11 | Q15759 | 2/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.41 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.41 |
| ▸ | RAF1 | P04049 | 1/20 | 0.41 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.41 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.41 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.41 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CSNK1A1L | Q8N752 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | SCD | O00767 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9119850 | 0.94 | PTGS2 (0.62) | PTGS2PTGS1MELKMAPK11MAPK14 | |
| SCHEMBL9118505 | 0.94 | PTGS2 (0.62) | PTGS2PTGS1MELKMAPK11MAPK14 | |
| SCHEMBL9117663 | 0.84 | PTGS2 (0.62) | PTGS2PTGS1 | |
| SCHEMBL9116379 | 0.84 | PTGS2 (0.74) | PTGS2PTGS1SMN1; SMN2 | |
| SCHEMBL8974078 | 0.84 | PTGS2 (0.49) | PTGS2PTGS1MELKMAPK11MAPK14 | |
| SCHEMBL9117278 | 0.84 | PTGS2 (0.74) | PTGS2PTGS1 | |
| SCHEMBL9118460 | 0.84 | PTGS2 (0.74) | PTGS2PTGS1ALDH1A1 | |
| SCHEMBL8974513 | 0.83 | PTGS2 (0.51) | PTGS2PTGS1MELKMAPK11MAPK14 | |
| SCHEMBL9118330 | 0.83 | PTGS2 (0.72) | PTGS2PTGS1MELKSCD | |
| SCHEMBL9118682 | 0.83 | PTGS2 (0.72) | 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 2 patents. 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 | claimed |
| WO-1995030652-A1 | SUBSTITUTED SPIRODIENES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1995-11-16 | — | — | WO | disclosed |