Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 20/20 | 0.66 |
| ▸ | PTGS1 | P23219 | 13/20 | 0.66 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | MC4R | P32245 | 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 | |
|---|---|---|---|---|
| SCHEMBL9119828 | 0.97 | PTGS2 (0.66) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL9118460 | 0.94 | PTGS2 (0.74) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL9116849 | 0.86 | PTGS2 (0.64) | PTGS2PTGS1 | |
| SCHEMBL9115813 | 0.86 | PTGS2 (0.64) | PTGS2PTGS1 | |
| SCHEMBL9117783 | 0.85 | PTGS2 (0.56) | PTGS2PTGS1 | |
| SCHEMBL9119850 | 0.85 | PTGS2 (0.62) | PTGS2PTGS1ALDH1A1 | |
| SCHEMBL9118085 | 0.84 | PTGS2 (0.48) | PTGS2PTGS1 | |
| SCHEMBL9118816 | 0.84 | PTGS2 (0.54) | PTGS2PTGS1 | |
| SCHEMBL9117606 | 0.84 | PTGS2 (0.61) | PTGS2PTGS1 | |
| SCHEMBL9115786 | 0.84 | PTGS2 (0.61) | PTGS2PTGS1ALDH1A1 |
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 |