Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 10/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 7/20 | 0.40 |
| ▸ | CA2 | P00918 | 7/20 | 0.36 |
| ▸ | CA12 | O43570 | 6/20 | 0.36 |
| ▸ | CA9 | Q16790 | 6/20 | 0.36 |
| ▸ | CA1 | P00915 | 3/20 | 0.36 |
| ▸ | CA3 | P07451 | 1/20 | 0.36 |
| ▸ | CA6 | P23280 | 1/20 | 0.36 |
| ▸ | CA5A | P35218 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.35 |
| ▸ | GHSR | Q92847 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9117759 | 0.98 | PTGS2 (0.40) | PTGS2PTGS1CA2CA12CA9 | |
| SCHEMBL9119234 | 0.95 | PTGS2 (0.45) | PTGS2PTGS1CA2CA12CA9 | |
| SCHEMBL9117616 | 0.89 | PTGS2 (0.53) | PTGS2PTGS1HDAC3HDAC1HDAC2 | |
| SCHEMBL9118488 | 0.87 | PTGS2 (0.53) | PTGS2PTGS1HDAC3HDAC1HDAC2 | |
| SCHEMBL9240663 | 0.84 | GRIN2B (0.34) | PTGS2PTGS1CA2CA12CA9 | |
| SCHEMBL9118562 | 0.84 | PTGS2 (0.59) | PTGS2PTGS1GHSR | |
| SCHEMBL9118655 | 0.83 | CA12 (0.55) | PTGS2PTGS1CA2CA12CA9 | |
| SCHEMBL9117292 | 0.81 | GHSR (0.37) | PTGS2CA2CA12CA9CA1 | |
| SCHEMBL9117882 | 0.81 | CA12 (0.55) | PTGS2PTGS1CA2CA12CA9 | |
| SCHEMBL8974644 | 0.79 | CA2 (0.41) | PTGS2PTGS1CA2CA12CA9 |
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 |