Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S100A4 | P26447 | 1/20 | 0.78 |
| ▸ | GAPDH | P04406 | 1/20 | 0.56 |
| ▸ | CDC25B | P30305 | 5/20 | 0.54 |
| ▸ | CDC25A | P30304 | 4/20 | 0.54 |
| ▸ | IDO1 | P14902 | 2/20 | 0.54 |
| ▸ | TDP2 | O95551 | 1/20 | 0.50 |
| ▸ | G6PD | P11413 | 1/20 | 0.50 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.50 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | TOP1 | P11387 | 1/20 | 0.48 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | MAP2K7 | O14733 | 3/20 | 0.43 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8142691 | 1.00 | S100A4 (0.78) | S100A4GAPDHCDC25BCDC25AIDO1 | |
| SCHEMBL29209310 | 0.88 | S100A4 (0.74) | S100A4GAPDHCDC25BCDC25AIDO1 | |
| SCHEMBL2599357 | 0.88 | S100A4 (1.00) | S100A4GAPDHCDC25BCDC25AIDO1 | |
| SCHEMBL30749484 | 0.88 | S100A4 (0.74) | S100A4GAPDHCDC25BCDC25AIDO1 | |
| SCHEMBL29209303 | 0.85 | S100A4 (0.75) | S100A4GAPDHCDC25BCDC25AIDO1 | |
| SCHEMBL30749480 | 0.85 | S100A4 (0.75) | S100A4GAPDHCDC25BCDC25AIDO1 | |
| SCHEMBL11694814 | 0.82 | KMT2A (0.55) | S100A4TOP1MAPTKMT2ASMN1; SMN2 | |
| SCHEMBL29209301 | 0.81 | S100A4 (0.57) | S100A4GAPDHCDC25BCDC25AIDO1 | |
| SCHEMBL13144212 | 0.81 | S100A4 (0.68) | S100A4GAPDHCDC25BCDC25AIDO1 | |
| SCHEMBL637237 | 0.79 | S100A4 (0.63) | S100A4GAPDHCDC25BCDC25AIDO1 |
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 |