Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 9/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 7/20 | 0.46 |
| ▸ | CA12 | O43570 | 6/20 | 0.42 |
| ▸ | CA2 | P00918 | 6/20 | 0.42 |
| ▸ | CA9 | Q16790 | 5/20 | 0.42 |
| ▸ | CA1 | P00915 | 4/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL9117265 | 0.97 | PTGS2 (0.46) | PTGS2PTGS1CA12CA2CA9 | |
| SCHEMBL9119226 | 0.94 | PTGS2 (0.51) | PTGS2PTGS1CA12CA2CA9 | |
| SCHEMBL9118479 | 0.87 | PTGS2 (0.61) | PTGS2PTGS1TSHR | |
| SCHEMBL9117275 | 0.87 | PTGS2 (0.38) | PTGS2PTGS1CA12CA2CA9 | |
| SCHEMBL9118694 | 0.87 | PTGS2 (0.38) | PTGS2PTGS1CA12CA2CA9 | |
| SCHEMBL9117606 | 0.84 | PTGS2 (0.61) | PTGS2PTGS1TSHR | |
| SCHEMBL9119878 | 0.84 | PTGS2 (0.38) | PTGS2PTGS1CA12CA2CA9 | |
| SCHEMBL9117882 | 0.84 | CA12 (0.55) | PTGS2PTGS1CA12CA2CA9 | |
| SCHEMBL9116743 | 0.82 | PTGS2 (0.40) | PTGS2PTGS1CA12CA2CA9 | |
| SCHEMBL9242350 | 0.81 | PTGS2 (0.42) | PTGS2PTGS1CA12CA2CA9 |
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 |