Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 8/20 | 0.49 |
| ▸ | CA1 | P00915 | 7/20 | 0.49 |
| ▸ | CA9 | Q16790 | 7/20 | 0.49 |
| ▸ | CA12 | O43570 | 5/20 | 0.49 |
| ▸ | MAOA | P21397 | 3/20 | 0.45 |
| ▸ | MAOB | P27338 | 2/20 | 0.45 |
| ▸ | IKBKB | O14920 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | MLNR | O43193 | 1/20 | 0.39 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 2/20 | 0.38 |
| ▸ | CCR6 | P51684 | 1/20 | 0.35 |
| ▸ | ATR | Q13535 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 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 | |
|---|---|---|---|---|
| SCHEMBL9116918 | 0.95 | CA2 (0.47) | CA2CA1CA9CA12MAOA | |
| SCHEMBL9117586 | 0.95 | CA2 (0.47) | CA2CA1CA9CA12MAOA | |
| SCHEMBL9115957 | 0.93 | CA2 (0.49) | CA2CA1CA9CA12MAOA | |
| SCHEMBL9115333 | 0.89 | CA2 (0.47) | CA2CA1CA9CA12MAOA | |
| SCHEMBL9118956 | 0.89 | CA2 (0.47) | CA2CA1CA9CA12MAOA | |
| SCHEMBL9117672 | 0.88 | PTGS2 (0.51) | CA2CA1CA9CA12PTGS2 | |
| SCHEMBL9119641 | 0.84 | PTGS2 (0.45) | CA2CA1CA9CA12MAOA | |
| SCHEMBL9117796 | 0.84 | PTGS2 (0.58) | CA2CA1CA9MAOAMAOB | |
| SCHEMBL9117725 | 0.84 | PTGS2 (0.45) | CA2CA1CA9CA12PTGS2 | |
| SCHEMBL9117491 | 0.84 | PTGS2 (0.46) | CA2CA1CA9CA12PTGS2 |
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 |