Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 5/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.38 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.38 |
| ▸ | NAAA | Q02083 | 11/20 | 0.37 |
| ▸ | ASAH1 | Q13510 | 2/20 | 0.36 |
| ▸ | FABP4 | P15090 | 1/20 | 0.35 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30965222 | 0.91 | CYP19A1 (0.39) | CYP19A1SCN9APTGS2NAAAASAH1 | |
| SCHEMBL30965160 | 0.90 | S1PR5 (0.41) | CYP19A1SCN9APTGS2NAAAASAH1 | |
| SCHEMBL30965143 | 0.87 | NAAA (0.38) | SCN9AITGB3ITGA2BNAAAASAH1 | |
| SCHEMBL30965244 | 0.83 | CYP19A1 (0.47) | CYP19A1 | |
| SCHEMBL30965211 | 0.81 | ITGB3 (0.40) | ITGB3ITGA2BNAAAASAH1 | |
| SCHEMBL30965245 | 0.80 | MCL1 (0.38) | ITGB3ITGA2BNAAAASAH1FABP4 | |
| SCHEMBL30965224 | 0.80 | CYP19A1 (0.45) | CYP19A1ASAH1 | |
| SCHEMBL30965265 | 0.78 | HPGD (0.47) | ITGB3ITGA2BNAAA | |
| SCHEMBL30965270 | 0.77 | HPGD (0.41) | NAAA | |
| SCHEMBL30965227 | 0.76 | ALDH1A1 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-118125964-A | Isoindoline-1, 3-diketone mPGES-1 inhibitor and application thereof | 长江大学 | 2024-06-04 | — | — | CN | disclosed |