Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 8/20 | 0.65 |
| ▸ | BTK | Q06187 | 3/20 | 0.65 |
| ▸ | ITK | Q08881 | 3/20 | 0.65 |
| ▸ | JAK2 | O60674 | 1/20 | 0.65 |
| ▸ | LYN | P07948 | 1/20 | 0.65 |
| ▸ | TEC | P42680 | 1/20 | 0.65 |
| ▸ | TXK | P42681 | 1/20 | 0.65 |
| ▸ | BMX | P51813 | 1/20 | 0.65 |
| ▸ | JAK3 | P52333 | 1/20 | 0.65 |
| ▸ | CD69 | Q07108 | 1/20 | 0.65 |
| ▸ | SYK | P43405 | 6/20 | 0.65 |
| ▸ | AURKA | O14965 | 6/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL28704339 | 1.00 | EGFR (0.65) | EGFRBTKITKJAK2LYN | |
| SCHEMBL28720308 | 0.92 | EGFR (0.65) | EGFRBTKITKJAK2LYN | |
| SCHEMBL29411905 | 0.91 | EGFR (0.66) | EGFRBTKITKJAK2LYN | |
| SCHEMBL28704792 | 0.91 | EGFR (0.66) | EGFRBTKITKJAK2LYN | |
| SCHEMBL28718244 | 0.90 | EGFR (0.72) | EGFRBTKITKJAK2LYN | |
| SCHEMBL29411924 | 0.90 | EGFR (0.72) | EGFRBTKITKJAK2LYN | |
| SCHEMBL22909543 | 0.87 | SYK (0.69) | EGFRBTKITKJAK2LYN | |
| SCHEMBL29412027 | 0.85 | BTK (0.65) | EGFRBTKITKJAK2LYN | |
| SCHEMBL28715173 | 0.85 | BTK (0.65) | EGFRBTKITKJAK2LYN | |
| SCHEMBL23409017 | 0.85 | SYK (0.68) | EGFRBTKITKJAK2LYN |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114181159-A | Hydrazide derivative containing 2,4, 5-trisubstituted pyrimidine, preparation method and application thereof | 南通大学 | 2022-03-15 | — | — | CN | claimed |
| CN-114181159-B | 2,4, 5-trisubstituted pyrimidine hydrazide derivative and preparation method and application thereof | 南通大学 | 2024-02-20 | — | — | CN | disclosed |
| CN-114181159-A | Hydrazide derivative containing 2,4, 5-trisubstituted pyrimidine, preparation method and application thereof | 南通大学 | 2022-03-15 | — | — | CN | disclosed |