Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 5/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | STAT1 | P42224 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28955162 | 1.00 | TP53 (0.44) | TP53HTTMAPTKMT2ATDP1 | |
| SCHEMBL28858616 | 1.00 | TP53 (0.44) | TP53HTTMAPTKMT2ATDP1 | |
| SCHEMBL29279203 | 0.81 | MAPT (0.44) | TP53HTTMAPTKMT2ATDP1 | |
| SCHEMBL20512335 | 0.70 | ALDH1A1 (0.49) | TP53KMT2ATDP1GAAL3MBTL1 | |
| SCHEMBL29869369 | 0.70 | ALDH1A1 (0.49) | TP53KMT2ATDP1GAAL3MBTL1 | |
| SCHEMBL23521273 | 0.70 | ALDH1A1 (0.49) | TP53KMT2ATDP1GAAL3MBTL1 | |
| SCHEMBL23521290 | 0.70 | ALDH1A1 (0.49) | TP53KMT2ATDP1GAAL3MBTL1 | |
| SCHEMBL28858628 | 0.69 | ALDH1A1 (0.42) | TP53HTTMAPTKMT2ATDP1 | |
| SCHEMBL9795891 | 0.68 | ESR1 (0.41) | TDP1ALDH1A1LMNAPPARA | |
| SCHEMBL10943998 | 0.67 | ALDH1A1 (0.48) | TP53MAPTKMT2ATDP1L3MBTL1 |
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-115160227-A | Heterozygote of R-or S-2- (1-acetoxy-n-pentyl) benzoic acid and 4-fluoro-edaravone, and preparation and application thereof | 中国药科大学 | 2022-10-11 | — | — | CN | disclosed |