Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP3 | P08254 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | JAK1 | P23458 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13655626 | 0.98 | ATM (0.45) | ATMGAAL3MBTL1MEN1KMT2A | |
| SCHEMBL27165476 | 0.90 | ALDH1A1 (0.38) | ATMGAAMEN1KMT2ATDP1 | |
| SCHEMBL17848825 | 0.82 | MEN1 (0.33) | GAAMEN1KMT2ATDP1ALDH1A1 | |
| SCHEMBL13655637 | 0.81 | L3MBTL1 (0.48) | GAAL3MBTL1MEN1KMT2AALDH1A1 | |
| SCHEMBL29969222 | 0.81 | CA2 (0.39) | GAAKMT2AJAK2JAK1 | |
| SCHEMBL18803167 | 0.81 | GAA (0.42) | GAAL3MBTL1KMT2ATDP1SMN1; SMN2 | |
| SCHEMBL30250011 | 0.79 | ATM (0.59) | ATML3MBTL1MEN1KMT2ATDP1 | |
| SCHEMBL15832603 | 0.78 | ALDH1A1 (0.53) | GAAMEN1KMT2AALDH1A1SMN1; SMN2 | |
| SCHEMBL17848849 | 0.77 | JAK2 (0.33) | JAK2JAK1 | |
| SCHEMBL19121772 | 0.75 | POLB (0.35) | ATMGAAL3MBTL1MEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111138417-B | Triazole modified 5-fluoro-2, 4-pyrimidinediamine compound and application thereof | 浙江工业大学 | 2021-03-23 | — | — | CN | disclosed |
| CN-111138417-A | Triazole modified 5-fluoro-2, 4-pyrimidinediamine compound and application thereof | 浙江工业大学 | 2020-05-12 | — | — | CN | disclosed |