Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CA6 | P23280 | 1/20 | 0.36 |
| ▸ | CA5A | P35218 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9117970 | 0.89 | PTGS2 (0.41) | PTGS2PTGS1TSHR | |
| SCHEMBL9119679 | 0.87 | PTGS2 (0.41) | PTGS2PTGS1TSHR | |
| SCHEMBL9118877 | 0.86 | CA1 (0.39) | CA12CA1CA2CA4CA6 | |
| SCHEMBL9116832 | 0.85 | CA1 (0.40) | CA12CA1CA2CA4CA6 | |
| SCHEMBL9237630 | 0.84 | PTGS2 (0.46) | PTGS2PTGS1 | |
| SCHEMBL9117245 | 0.84 | PTGS2 (0.49) | CA12CA1CA2CA4CA6 | |
| SCHEMBL9119047 | 0.84 | CA1 (0.39) | CA12CA1CA2CA4CA6 | |
| SCHEMBL9117114 | 0.84 | CA1 (0.39) | CA12CA1CA2CA4CA6 | |
| SCHEMBL9117408 | 0.83 | PTGS2 (0.41) | CA12CA1CA2CA4CA6 | |
| SCHEMBL9118876 | 0.83 | CA1 (0.40) | CA12CA1CA2CA4CA6 |
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 1 patent. 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 | disclosed |