Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | GLS | O94925 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | MMP2 | P08253 | 2/20 | 0.42 |
| ▸ | MMP9 | P14780 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL12134372 | 0.91 | CASP3 (0.48) | CASP3MAOB | |
| SCHEMBL8967575 | 0.82 | ALDH1A1 (0.46) | ALDH1A1GLSMAOBMAPTNPSR1 | |
| SCHEMBL369820 | 0.80 | CASP3 (0.58) | CASP3ALDH1A1GLSMAPTNPSR1 | |
| SCHEMBL29419302 | 0.80 | CASP3 (0.58) | CASP3ALDH1A1GLSMAPTNPSR1 | |
| SCHEMBL4578721 | 0.80 | ALDH1A1 (0.51) | CASP3ALDH1A1GLSMAOBMAPT | |
| SCHEMBL12203853 | 0.79 | ALDH1A1 (0.54) | CASP3ALDH1A1GLSMAOBMAPT | |
| SCHEMBL19746901 | 0.78 | ALDH1A1 (0.50) | ALDH1A1GLSMAOB | |
| SCHEMBL12134382 | 0.78 | ALDH1A1 (0.55) | ALDH1A1GLSMAOBMAPTNPSR1 | |
| SCHEMBL11024056 | 0.78 | ALDH1A1 (0.52) | CASP3ALDH1A1GLSMAOBMAPT | |
| SCHEMBL571198 | 0.77 | CASP3 (0.54) | CASP3GLSMAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118084726-A | 1-Cyano-2-hydroxy-5-fluoro compound and preparation method thereof | 南京工业大学 | 2024-05-28 | — | — | CN | claimed |
| CN-118084726-A | 1-Cyano-2-hydroxy-5-fluoro compound and preparation method thereof | 南京工业大学 | 2024-05-28 | — | — | CN | disclosed |