Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 1/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 8/20 | 0.40 |
| ▸ | CDC7 | O00311 | 1/20 | 0.36 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CHKA | P35790 | 1/20 | 0.34 |
| ▸ | CLK1 | P49759 | 2/20 | 0.34 |
| ▸ | HSP90B1 | P14625 | 2/20 | 0.34 |
| ▸ | CD38 | P28907 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | LIMK1 | P53667 | 2/20 | 0.33 |
| ▸ | XDH | P47989 | 1/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL23301676 | 0.83 | ALDH1A1 (0.40) | CD38PIK3CD | |
| SCHEMBL29656844 | 0.83 | ALDH1A1 (0.40) | CD38PIK3CD | |
| SCHEMBL30762119 | 0.81 | CACNA1H (0.40) | PDE5ACDC7DBF4CA2CHKA | |
| SCHEMBL22715807 | 0.80 | EPRS1 (0.37) | PDE5AMAP4K4CDC7DBF4CA2 | |
| SCHEMBL29656787 | 0.77 | PDE5A (0.46) | PDE5AMAP4K4CLK1LIMK1CHEK1 | |
| SCHEMBL18626567 | 0.74 | PDE5A (0.47) | PDE5AMAP4K4CDC7DBF4CLK1 | |
| SCHEMBL15587381 | 0.74 | PDE5A (0.44) | PDE5AMAP4K4CLK1IDO1LIMK1 | |
| SCHEMBL22715334 | 0.73 | CDC7 (0.39) | PDE5AMAP4K4CDC7DBF4CA2 | |
| SCHEMBL29439808 | 0.73 | CDC7 (0.39) | PDE5AMAP4K4CDC7DBF4CA2 | |
| SCHEMBL29829936 | 0.72 | PARP1 (0.49) | MAP4K4CDC7DBF4CLK1LIMK1 |
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-117561252-A | 2- [3- [1[ (quinazolin-4-yl) amino ] ethyl ] pyrazin-2-yl ] thiazole-5-carbonitrile derivatives and similar compounds as pesticides | 先正达农作物保护股份公司 | 2024-02-13 | — | — | CN | disclosed |