Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 4/20 | 0.58 |
| ▸ | SYK | P43405 | 1/20 | 0.54 |
| ▸ | PIK3CG | P48736 | 5/20 | 0.53 |
| ▸ | PIK3CA | P42336 | 4/20 | 0.53 |
| ▸ | PIK3CB | P42338 | 4/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.51 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.51 |
| ▸ | CDK2 | P24941 | 1/20 | 0.51 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.51 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.51 |
| ▸ | ERBB3 | P21860 | 2/20 | 0.50 |
| ▸ | IGF1R | P08069 | 1/20 | 0.50 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.49 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.49 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.49 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL29622027 | 0.81 | ROCK1 (0.63) | EGFRSYKPIK3CGPIK3CAPIK3CB | |
| SCHEMBL21496112 | 0.81 | SYK (0.51) | EGFRSYKMEN1KMT2ACDK2 | |
| SCHEMBL10410879 | 0.78 | EGFR (0.60) | EGFRSYKPIK3CGPIK3CAPIK3CB | |
| SCHEMBL2284267 | 0.75 | EGFR (0.72) | EGFRSYKPIK3CGPIK3CAPIK3CB | |
| SCHEMBL28229111 | 0.74 | GAA (0.61) | MEN1KMT2ANPC1RAB9AKCNH3 | |
| SCHEMBL1377802 | 0.73 | EGFR (1.00) | EGFRSYKPIK3CGPIK3CAPIK3CB | |
| SCHEMBL91589 | 0.73 | EGFR (0.74) | EGFRSYKPIK3CGPIK3CAPIK3CB | |
| SCHEMBL4544861 | 0.73 | KCNH3 (0.70) | EGFRSYKPIK3CGPIK3CAPIK3CB | |
| SCHEMBL4544834 | 0.73 | KCNH3 (0.70) | EGFRSYKPIK3CGPIK3CAPIK3CB | |
| SCHEMBL3589836 | 0.73 | APP (0.76) | EGFRSYKPIK3CGPIK3CAPIK3CB |
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-108191774-B | Heterocyclic compound, preparation method and application thereof | 中国药科大学 | 2022-05-24 | — | — | CN | disclosed |