Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 4/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | NAAA | Q02083 | 6/20 | 0.37 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.36 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | ASAH1 | Q13510 | 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 | 0.95 | CYP19A1 (0.39) | S1PR5CYP19A1SCN9APTGS2NAAA | |
| SCHEMBL30965210 | 0.90 | CYP19A1 (0.41) | CYP19A1SCN9APTGS2NAAAASAH1 | |
| SCHEMBL30965220 | 0.87 | S1PR5 (0.42) | S1PR5MEN1GAACASP1KMT2A | |
| SCHEMBL30965179 | 0.84 | CYP19A1 (0.45) | S1PR5CYP19A1MEN1GAACASP1 | |
| SCHEMBL30965270 | 0.83 | HPGD (0.41) | S1PR5GAAHSD17B10NAAACYSLTR2 | |
| SCHEMBL30965262 | 0.82 | MEN1 (0.46) | S1PR5MEN1GAACASP1KMT2A | |
| SCHEMBL30965247 | 0.81 | S1PR5 (0.38) | S1PR5MEN1GAACASP1KMT2A | |
| SCHEMBL30965250 | 0.81 | RAB9A (0.45) | S1PR5CYP19A1MEN1GAACASP1 | |
| SCHEMBL30965153 | 0.79 | CYP19A1 (0.46) | S1PR5CYP19A1HSD17B10ALDH1A1SMN1; SMN2 | |
| SCHEMBL30965171 | 0.79 | HPGD (0.45) | S1PR5MEN1GAACASP1KMT2A |
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 |