Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR2 | O43614 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 3/20 | 0.35 |
| ▸ | ACACB | O00763 | 3/20 | 0.35 |
| ▸ | JAK2 | O60674 | 5/20 | 0.34 |
| ▸ | JAK1 | P23458 | 5/20 | 0.34 |
| ▸ | TYK2 | P29597 | 5/20 | 0.34 |
| ▸ | JAK3 | P52333 | 3/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 4/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.33 |
| ▸ | HDAC10 | Q969S8 | 4/20 | 0.33 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.33 |
| ▸ | HDAC9 | Q9UKV0 | 4/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29097717 | 1.00 | HCRTR2 (0.37) | HCRTR2SMN1; SMN2CNR1ACACBJAK2 | |
| SCHEMBL31318204 | 0.83 | HCRTR2 (0.39) | HCRTR2SMN1; SMN2CNR1HDAC3HDAC4 | |
| SCHEMBL30621963 | 0.82 | DPP4 (0.32) | CNR1JAK2JAK1TYK2HDAC3 | |
| SCHEMBL29097568 | 0.82 | DPP4 (0.32) | CNR1JAK2JAK1TYK2HDAC3 | |
| SCHEMBL29097711 | 0.79 | ALK (0.49) | JAK2EGFR | |
| SCHEMBL30064721 | 0.79 | JAK2 (0.37) | HCRTR2SMN1; SMN2CNR1JAK2JAK1 | |
| SCHEMBL30621965 | 0.72 | ABL1 (0.39) | HCRTR2SMN1; SMN2CNR1ACACBABL1 | |
| SCHEMBL29097714 | 0.72 | ABL1 (0.39) | HCRTR2SMN1; SMN2CNR1ACACBABL1 | |
| SCHEMBL30621967 | 0.70 | PTPN11 (0.46) | SMN1; SMN2 | |
| SCHEMBL29097712 | 0.70 | PTPN11 (0.46) | SMN1; SMN2 |
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 |