Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 13/20 | 0.67 |
| ▸ | BTK | Q06187 | 11/20 | 0.67 |
| ▸ | ITK | Q08881 | 4/20 | 0.61 |
| ▸ | BLK | P51451 | 2/20 | 0.61 |
| ▸ | SRC | P12931 | 1/20 | 0.61 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL28399244 | 1.00 | EGFR (0.67) | EGFRBTKITKBLKSRC | |
| SCHEMBL28406583 | 0.85 | EGFR (0.58) | EGFRBTKITKBLKSRC | |
| SCHEMBL30423271 | 0.85 | EGFR (0.58) | EGFRBTKITKBLKSRC | |
| SCHEMBL17675258 | 0.80 | EGFR (1.00) | EGFRBTKBLKSRC | |
| SCHEMBL30423295 | 0.79 | EGFR (0.75) | EGFRBTKITKBLKSRC | |
| SCHEMBL28400978 | 0.79 | EGFR (0.75) | EGFRBTKITKBLKSRC | |
| SCHEMBL17675435 | 0.78 | EGFR (0.84) | EGFRBTKBLKSRC | |
| SCHEMBL28397630 | 0.78 | BTK (0.61) | EGFRBTKITKBLKSRC | |
| SCHEMBL6483156 | 0.77 | EGFR (0.64) | EGFRBTKITKBLKSRC | |
| SCHEMBL17675227 | 0.77 | EGFR (0.75) | EGFRBTKBLKSRCNPC1 |
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-111057021-B | S-triazine compound, preparation method and application thereof | 中国药科大学 | 2023-05-23 | — | — | CN | claimed |
| CN-111057021-B | S-triazine compound, preparation method and application thereof | 中国药科大学 | 2023-05-23 | — | — | CN | disclosed |