Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 5/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 5/20 | 0.33 |
| ▸ | STK17B | O94768 | 1/20 | 0.31 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 3/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | FLT4 | P35916 | 2/20 | 0.30 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.30 |
| ▸ | KDR | P35968 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
| ▸ | MMP1 | P03956 | 1/20 | 0.30 |
| ▸ | MMP2 | P08253 | 1/20 | 0.30 |
| ▸ | MMP9 | P14780 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29097722 | 0.80 | PTPN11 (0.39) | PDCD1CD274PTPN11 | |
| SCHEMBL30621964 | 0.80 | PTPN11 (0.39) | PDCD1CD274PTPN11 | |
| SCHEMBL29097721 | 0.80 | HCRTR2 (0.38) | PTPN11 | |
| SCHEMBL29097715 | 0.77 | SLC2A1 (0.51) | — | |
| SCHEMBL31318205 | 0.75 | STK17B (0.46) | PDCD1CD274STK17BSTK17AFLT4 | |
| SCHEMBL19641147 | 0.72 | CYP2D6 (0.55) | CYP2D6ALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL29097568 | 0.72 | DPP4 (0.32) | CNR1CNR2 | |
| SCHEMBL30621963 | 0.72 | DPP4 (0.32) | CNR1CNR2 | |
| SCHEMBL30621970 | 0.70 | SCN9A (0.34) | — | |
| SCHEMBL28906903 | 0.69 | PTPN11 (0.41) | PTPN11 |
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-116903592-A | Pyrimidine amine NUAK inhibitor and preparation method and application thereof | 特科罗生物科技(成都)有限公司 | 2023-10-20 | — | — | CN | disclosed |