Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 8/20 | 0.73 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | BCL6 | P41182 | 3/20 | 0.49 |
| ▸ | SYK | P43405 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | EGFR | P00533 | 2/20 | 0.46 |
| ▸ | KDR | P35968 | 2/20 | 0.46 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.46 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.46 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.46 |
| ▸ | PRKCG | P05129 | 1/20 | 0.46 |
| ▸ | CDK1 | P06493 | 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 | |
|---|---|---|---|---|
| SCHEMBL2411693 | 0.83 | AURKA (0.53) | AURKAGAABCL6SYKMEN1 | |
| SCHEMBL656928 | 0.83 | AURKA (0.69) | AURKASYKAURKB | |
| SCHEMBL6642753 | 0.83 | AURKA (0.51) | AURKABCL6MEN1KMT2AALDH1A1 | |
| SCHEMBL6923416 | 0.83 | CTSC (0.53) | AURKABCL6MEN1KMT2AEGFR | |
| SCHEMBL30394357 | 0.83 | AURKA (0.51) | AURKABCL6MEN1KMT2ALMNA | |
| SCHEMBL29019918 | 0.83 | AURKA (0.51) | AURKABCL6MEN1KMT2ALMNA | |
| SCHEMBL1491787 | 0.82 | BCL6 (0.70) | AURKABCL6MEN1KMT2AMAPT | |
| SCHEMBL29019903 | 0.80 | NFKB1 (0.54) | AURKABCL6MEN1KMT2AALDH1A1 | |
| SCHEMBL30394817 | 0.80 | NFKB1 (0.54) | AURKABCL6MEN1KMT2AALDH1A1 | |
| SCHEMBL21596343 | 0.80 | AURKA (0.72) | AURKAGAASYKMEN1KMT2A |
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-110563656-A | Pyrimidine small molecule compound and application thereof in preparing anti-mycobacteria drugs | 四川大学 | 2019-12-13 | — | — | CN | disclosed |