Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 7/20 | 0.34 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA4 | P22748 | 2/20 | 0.33 |
| ▸ | CA6 | P23280 | 2/20 | 0.33 |
| ▸ | CA5A | P35218 | 2/20 | 0.33 |
| ▸ | CA7 | P43166 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.33 |
| ▸ | SLC6A7 | Q99884 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.30 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL9117981 | 0.90 | PIK3CD (0.36) | GRIN2BHDAC1HDAC2HDAC3SLC6A7 | |
| SCHEMBL9119692 | 0.88 | PIK3CD (0.36) | GRIN2BHDAC1HDAC2HDAC3SLC6A7 | |
| SCHEMBL9237640 | 0.85 | PTGS1 (0.40) | GRIN2BHDAC1SLC6A7KCNH2PTGS1 | |
| SCHEMBL9118877 | 0.85 | CA1 (0.39) | CA12CA1CA2CA4CA6 | |
| SCHEMBL9117271 | 0.84 | PTGS2 (0.40) | CA12CA1CA2CA6CA5A | |
| SCHEMBL9117114 | 0.83 | CA1 (0.39) | CA12CA1CA2CA4CA6 | |
| SCHEMBL9117759 | 0.82 | PTGS2 (0.40) | CA12CA1CA2CA6CA5A | |
| SCHEMBL9119841 | 0.80 | PTGS2 (0.42) | CA12CA1CA2CA4CA6 | |
| SCHEMBL9119234 | 0.79 | PTGS2 (0.45) | CA12CA1CA2CA6CA5A | |
| SCHEMBL9116832 | 0.79 | 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 |