Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | ALPL | P05186 | 2/20 | 0.41 |
| ▸ | ALPI | P09923 | 1/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 4/20 | 0.40 |
| ▸ | CA5A | P35218 | 2/20 | 0.40 |
| ▸ | ESR1 | P03372 | 3/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | STS | P08842 | 1/20 | 0.38 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.38 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6939170 | 0.82 | ALDH1A1 (0.53) | ALDH1A1KDM4EGAAHPGDTDP1 | |
| SCHEMBL14513000 | 0.81 | ALDH1A1 (0.47) | ALDH1A1KDM4EGAAHPGDCA2 | |
| SCHEMBL2946246 | 0.80 | ESR1 (0.63) | ALDH1A1ESR1ESR2 | |
| SCHEMBL11244625 | 0.79 | ALDH1A1 (0.60) | ALDH1A1KDM4EGAAHPGDALPL | |
| SCHEMBL6409631 | 0.77 | ALDH1A1 (0.49) | ALDH1A1KDM4EGAAHPGDALPL | |
| SCHEMBL7247499 | 0.77 | ALDH1A1 (0.49) | ALDH1A1KDM4EGAAHPGDALPL | |
| SCHEMBL6905828 | 0.77 | ALDH1A1 (0.49) | ALDH1A1KDM4EGAAHPGDTDP1 | |
| SCHEMBL9958775 | 0.76 | ALDH1A1 (0.47) | ALDH1A1KDM4EGAAHPGDTDP1 | |
| SCHEMBL11447693 | 0.75 | ALDH1A1 (0.72) | ALDH1A1KDM4EGAAHPGDCA2 | |
| SCHEMBL135848 | 0.74 | TP53 (0.54) | ALDH1A1KDM4EHPGDTP53TDP1 |
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-105008378-A | Reaction catalyst for cross coupling and method for manufacturing aromatic compound | HOKKO CHEM IND CO | 2015-10-28 | — | — | CN | disclosed |