Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPRC | P08575 | 1/20 | 0.52 |
| ▸ | SLC7A5 | Q01650 | 3/20 | 0.51 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.51 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.50 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.50 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.50 |
| ▸ | ALPI | P09923 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | XIAP | P98170 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 5/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7025170 | 1.00 | PTPRC (0.52) | PTPRCSLC7A5PTPN1PTGS1ITGB3 | |
| SCHEMBL29631978 | 0.97 | PTPRC (0.50) | PTPRCSLC7A5PTPN1PTGS1ITGB3 | |
| SCHEMBL4066744 | 0.88 | PTPRC (0.57) | PTPRCSLC7A5PTPN1PTGS1ITGB3 | |
| SCHEMBL1152 | 0.88 | PTPRC (0.57) | PTPRCSLC7A5PTPN1PTGS1ITGB3 | |
| SCHEMBL273663 | 0.88 | PTPRC (0.57) | PTPRCSLC7A5PTPN1PTGS1ITGB3 | |
| SCHEMBL3626587 | 0.88 | PTPRC (0.57) | PTPRCSLC7A5PTPN1PTGS1ITGB3 | |
| Phosphoric Acid SCHEMBL3476886 | 0.87 | PTPRC (0.56) | PTPRCSLC7A5PTPN1PTGS1ITGB3 | |
| SCHEMBL19615883 | 0.87 | PTPRC (0.56) | PTPRCSLC7A5PTPN1PTGS1ITGB3 | |
| SCHEMBL29567635 | 0.87 | PTPRC (0.56) | PTPRCSLC7A5PTPN1PTGS1ITGB3 | |
| SCHEMBL29613927 | 0.87 | PTPRC (0.56) | PTPRCSLC7A5PTPN1PTGS1ITGB3 |
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-116903581-A | SHP2/HDAC double-target inhibitor and preparation method and application thereof | 山东大学 | 2023-10-20 | — | — | CN | disclosed |