Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 9/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 5/20 | 0.42 |
| ▸ | CA1 | P00915 | 9/20 | 0.41 |
| ▸ | CA2 | P00918 | 9/20 | 0.41 |
| ▸ | CA9 | Q16790 | 9/20 | 0.41 |
| ▸ | CA5A | P35218 | 6/20 | 0.41 |
| ▸ | CA12 | O43570 | 6/20 | 0.41 |
| ▸ | CA4 | P22748 | 5/20 | 0.41 |
| ▸ | CA6 | P23280 | 3/20 | 0.41 |
| ▸ | CA7 | P43166 | 3/20 | 0.41 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 4/20 | 0.34 |
| ▸ | CA3 | P07451 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | CXCR5 | P32302 | 1/20 | 0.33 |
| ▸ | APLNR | P35414 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CCR6 | P51684 | 1/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9117114 | 0.95 | CA1 (0.39) | PTGS2PTGS1CA1CA2CA9 | |
| SCHEMBL9118877 | 0.95 | CA1 (0.39) | PTGS2PTGS1CA1CA2CA9 | |
| SCHEMBL9117193 | 0.88 | PTGS2 (0.49) | PTGS2PTGS1HSP90AA1CXCR5APLNR | |
| SCHEMBL9116386 | 0.88 | CA1 (0.41) | PTGS2PTGS1CA1CA2CA9 | |
| SCHEMBL9117806 | 0.86 | PTGS2 (0.55) | PTGS2PTGS1CA1CA2CA9 | |
| SCHEMBL9115309 | 0.86 | CA1 (0.41) | PTGS2PTGS1CA1CA2CA9 | |
| SCHEMBL9117037 | 0.86 | PTGS2 (0.42) | PTGS2PTGS1CA1CA2CA9 | |
| SCHEMBL9118048 | 0.83 | PTGS2 (0.42) | PTGS2PTGS1CA1CA2CA9 | |
| SCHEMBL9115418 | 0.83 | CA1 (0.42) | PTGS2PTGS1CA1CA2CA9 | |
| SCHEMBL9118876 | 0.83 | CA1 (0.40) | PTGS2PTGS1CA1CA2CA9 |
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 |