Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 16/20 | 0.57 |
| ▸ | CA2 | P00918 | 16/20 | 0.57 |
| ▸ | CA9 | Q16790 | 15/20 | 0.57 |
| ▸ | CA12 | O43570 | 14/20 | 0.57 |
| ▸ | CA5A | P35218 | 4/20 | 0.47 |
| ▸ | CA5B | Q9Y2D0 | 4/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | MELK | Q14680 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8629221 | 0.90 | CA9 (0.51) | CA1CA2CA9CA12CA5A | |
| SCHEMBL8629858 | 0.89 | MELK (0.57) | CA1CA2CA9CA12PTGS2 | |
| SCHEMBL8802914 | 0.78 | BCAT2 (0.65) | CA1CA2CA9CA12PTGS2 | |
| SCHEMBL8634435 | 0.78 | MELK (0.58) | CA9CA12PTGS2GRM2MELK | |
| SCHEMBL27717965 | 0.73 | BCAT2 (0.56) | GRM2 | |
| SCHEMBL8630977 | 0.72 | CA1 (0.49) | CA1CA2CA9CA12PTGS2 | |
| SCHEMBL5198057 | 0.72 | GRM4 (0.53) | GRM2 | |
| SCHEMBL21724955 | 0.72 | PIK3CD (0.59) | GRM2 | |
| SCHEMBL30965134 | 0.72 | PIK3CD (0.59) | GRM2 | |
| SCHEMBL6498127 | 0.70 | CA1 (0.50) | CA1CA2CA9CA12 |
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 |
|---|---|---|---|---|---|---|---|
| US-5756530-A | NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS | G. D. SEARLE & CO. (US) | 1998-05-26 | — | — | US | disclosed |