Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S100A4 | P26447 | 1/20 | 0.56 |
| ▸ | IDO1 | P14902 | 2/20 | 0.54 |
| ▸ | CDC25A | P30304 | 2/20 | 0.54 |
| ▸ | CDC25B | P30305 | 2/20 | 0.54 |
| ▸ | VDR | P11473 | 1/20 | 0.51 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | DHODH | Q02127 | 1/20 | 0.49 |
| ▸ | GAPDH | P04406 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | PKM | P14618 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29209320 | 1.00 | S100A4 (0.56) | S100A4IDO1CDC25ACDC25BVDR | |
| SCHEMBL30749478 | 0.87 | GAPDH (0.57) | S100A4IDO1CDC25ACDC25BCES2 | |
| SCHEMBL29209336 | 0.87 | GAPDH (0.57) | S100A4IDO1CDC25ACDC25BCES2 | |
| SCHEMBL29209306 | 0.85 | KMT2A (0.51) | S100A4IDO1CDC25ACDC25BVDR | |
| SCHEMBL30749485 | 0.85 | KMT2A (0.51) | S100A4IDO1CDC25ACDC25BVDR | |
| SCHEMBL7092325 | 0.82 | ALDH1A1 (0.51) | VDRDHODHALDH1A1LMNAMAPK1 | |
| SCHEMBL29209323 | 0.81 | IDO1 (0.46) | S100A4IDO1CDC25ACDC25BCES1 | |
| SCHEMBL30749475 | 0.81 | IDO1 (0.46) | S100A4IDO1CDC25ACDC25BCES1 | |
| SCHEMBL9849815 | 0.76 | CES2 (0.77) | S100A4IDO1CDC25ACDC25BCES2 | |
| SCHEMBL8581501 | 0.75 | IDO1 (0.47) | S100A4IDO1CDC25ACDC25BCES2 |
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 |