Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | PTGS2 | P35354 | 10/20 | 0.53 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.45 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8631432 | 0.92 | PTGS2 (0.54) | ALDH1A1PTGS2HSP90AA1CA12CA9 | |
| SCHEMBL8629926 | 0.91 | PTGS2 (0.61) | ALDH1A1PTGS2HSP90AA1CA12CA9 | |
| SCHEMBL8628018 | 0.91 | PTGS2 (0.54) | ALDH1A1PTGS2HSP90AA1CA12CA9 | |
| SCHEMBL8632858 | 0.90 | PTGS2 (0.55) | ALDH1A1PTGS2HSP90AA1CA12CA9 | |
| SCHEMBL8633844 | 0.90 | CA9 (0.56) | ALDH1A1PTGS2CA12CA9KDM4E | |
| SCHEMBL7772801 | 0.86 | PTGS2 (0.54) | ALDH1A1PTGS2CA12CA9 | |
| SCHEMBL8631237 | 0.86 | PTGS2 (0.50) | ALDH1A1PTGS2HSP90AA1CA12CA9 | |
| SCHEMBL7779363 | 0.83 | PTGS2 (0.55) | ALDH1A1PTGS2 | |
| SCHEMBL8627676 | 0.83 | PTGS2 (0.52) | ALDH1A1PTGS2HSP90AA1 | |
| SCHEMBL8631075 | 0.83 | CA9 (0.55) | PTGS2CA12CA9SMN1; SMN2 |
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 |