Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.46 |
| ▸ | CDC25A | P30304 | 2/20 | 0.46 |
| ▸ | CDC25B | P30305 | 2/20 | 0.46 |
| ▸ | PTPRC | P08575 | 3/20 | 0.44 |
| ▸ | GAPDH | P04406 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | S100A4 | P26447 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 3/20 | 0.40 |
| ▸ | CA2 | P00918 | 3/20 | 0.40 |
| ▸ | CA9 | Q16790 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29209323 | 1.00 | IDO1 (0.46) | IDO1CDC25ACDC25BPTPRCGAPDH | |
| SCHEMBL29209336 | 0.84 | GAPDH (0.57) | IDO1CDC25ACDC25BPTPRCGAPDH | |
| SCHEMBL30749478 | 0.84 | GAPDH (0.57) | IDO1CDC25ACDC25BPTPRCGAPDH | |
| SCHEMBL29209320 | 0.81 | S100A4 (0.56) | IDO1CDC25ACDC25BGAPDHCES1 | |
| SCHEMBL30749476 | 0.81 | S100A4 (0.56) | IDO1CDC25ACDC25BGAPDHCES1 | |
| SCHEMBL29209306 | 0.81 | KMT2A (0.51) | IDO1CDC25ACDC25BPTPRCGAPDH | |
| SCHEMBL30749485 | 0.81 | KMT2A (0.51) | IDO1CDC25ACDC25BPTPRCGAPDH | |
| SCHEMBL17594490 | 0.80 | GAPDH (0.67) | IDO1CDC25ACDC25BPTPRCGAPDH | |
| SCHEMBL11041999 | 0.72 | HTT (0.59) | HTTMAPTMAPK1KMT2AALDH1A1 | |
| SCHEMBL14594621 | 0.71 | HTT (0.62) | HTTMAPTMAPK1KMT2AALDH1A1 |
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-117510338-A | Natural naphthoquinone derivative and preparation method and application thereof | 贵州大学 | 2024-02-06 | — | — | CN | claimed |
| CN-117510338-A | Natural naphthoquinone derivative and preparation method and application thereof | 贵州大学 | 2024-02-06 | — | — | CN | disclosed |