Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALK | Q9UM73 | 1/20 | 0.36 |
| ▸ | TYMS | P04818 | 2/20 | 0.35 |
| ▸ | CDC7 | O00311 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.35 |
| ▸ | PLK1 | P53350 | 5/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | PMM2 | O15305 | 2/20 | 0.33 |
| ▸ | MPI | P34949 | 2/20 | 0.33 |
| ▸ | APOBEC3G | Q9HC16 | 2/20 | 0.33 |
| ▸ | G6PD | P11413 | 1/20 | 0.33 |
| ▸ | FEN1 | P39748 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | TDO2 | P48775 | 1/20 | 0.32 |
| ▸ | IDO2 | Q6ZQW0 | 1/20 | 0.32 |
| ▸ | PHOSPHO1 | Q8TCT1 | 1/20 | 0.31 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.31 |
| ▸ | MPO | P05164 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL30822720 | 0.86 | ALK (0.49) | ALKTYMS | |
| SCHEMBL30822734 | 0.81 | TYMS (0.35) | TYMSCDC7CDK2ROCK1MAPT | |
| SCHEMBL30822668 | 0.72 | CYP1A2 (0.35) | ALKPARP1 | |
| SCHEMBL30822652 | 0.72 | JAK2 (0.39) | MAPTFEN1IDO1PARP1 | |
| SCHEMBL29164785 | 0.71 | TDO2 (0.34) | PLK1IDO1TDO2IDO2 | |
| SCHEMBL29164790 | 0.71 | TDO2 (0.34) | PLK1IDO1TDO2IDO2 | |
| SCHEMBL30822686 | 0.71 | TDO2 (0.34) | PLK1IDO1TDO2IDO2 | |
| SCHEMBL30822718 | 0.70 | TYMS (0.39) | ALKTYMSCDC7CDK2ROCK1 | |
| SCHEMBL30822708 | 0.68 | AURKA (0.41) | ALK | |
| SCHEMBL9919030 | 0.67 | CDK4 (0.43) | TYMSCDK2PMM2MPIAPOBEC3G |
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-117659001-A | Aminopyrimidine derivatives and their use in medicine | 广东东阳光药业股份有限公司 | 2024-03-08 | — | — | CN | disclosed |