Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 6/20 | 0.51 |
| ▸ | ERBB2 | P04626 | 3/20 | 0.51 |
| ▸ | ERBB4 | Q15303 | 2/20 | 0.51 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.51 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.49 |
| ▸ | BTK | Q06187 | 3/20 | 0.46 |
| ▸ | ITK | Q08881 | 3/20 | 0.46 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.43 |
| ▸ | AURKA | O14965 | 1/20 | 0.43 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.43 |
| ▸ | SCN9A | Q15858 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.41 |
| ▸ | JAK3 | P52333 | 2/20 | 0.41 |
| ▸ | TNNI3K | Q59H18 | 1/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.41 |
| ▸ | BCR | P11274 | 1/20 | 0.41 |
| ▸ | ABL2 | P42684 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3243500 | 0.84 | MAP3K5 (0.60) | ABCG2MAP3K5AURKAAURKBSCN9A | |
| SCHEMBL30423172 | 0.78 | EGFR (0.61) | EGFRBTKITK | |
| SCHEMBL28400866 | 0.78 | EGFR (0.61) | EGFRBTKITK | |
| SCHEMBL13169349 | 0.77 | EGFR (0.46) | EGFRERBB2ERBB4ABCG2PIK3CD | |
| SCHEMBL28406681 | 0.77 | NFKB1 (0.43) | EGFRSCN9AKMT2ATNNI3K | |
| SCHEMBL2355018 | 0.77 | SCN9A (0.62) | SCN9A | |
| SCHEMBL27705134 | 0.75 | RHOA (0.62) | EGFRAURKAMEN1KMT2AJAK3 | |
| SCHEMBL28406621 | 0.74 | ABL1 (0.60) | MEN1KMT2AABL1 | |
| SCHEMBL6479606 | 0.74 | ABL1 (0.57) | SCN9AMEN1KMT2AABL1BCR | |
| SCHEMBL6497513 | 0.74 | NFKB1 (0.71) | EGFRAURKATNNI3KABL1BCR |
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 | disclosed |
| CN-111057021-A | S-triazine compound and its preparing method and use | 中国药科大学 | 2020-04-24 | — | — | CN | disclosed |