Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 1/20 | 0.52 |
| ▸ | BTK | Q06187 | 11/20 | 0.51 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.51 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.50 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.47 |
| ▸ | SCN4A | P35499 | 1/20 | 0.45 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
| ▸ | TEC | P42680 | 1/20 | 0.43 |
| ▸ | DHODH | Q02127 | 1/20 | 0.43 |
| ▸ | AURKA | O14965 | 1/20 | 0.43 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1729990 | 0.88 | DHODH (0.49) | SCN9ABTKERBB2DHODH | |
| SCHEMBL7666259 | 0.88 | KDM4E (0.47) | CTNNB1DHODH | |
| SCHEMBL15472730 | 0.80 | SCN9A (0.57) | SCN9A | |
| SCHEMBL11957362 | 0.80 | SCN9A (0.40) | SCN9ABTKERBB2DHODH | |
| SCHEMBL28304286 | 0.78 | MAPK1 (0.44) | BTKCHEK2 | |
| SCHEMBL29536436 | 0.77 | SCN4A (0.53) | SCN9ABTKSCN4AEGFRTEC | |
| SCHEMBL30108238 | 0.77 | RAB9A (0.52) | SCN9ABTKCHEK2PARP10CTNNB1 | |
| SCHEMBL21807964 | 0.77 | RAB9A (0.52) | SCN9ABTKCHEK2PARP10CTNNB1 | |
| SCHEMBL27568104 | 0.76 | ERBB2 (0.49) | SCN9ABTKSCN4AERBB2 | |
| SCHEMBL19663968 | 0.76 | MAPK1 (0.56) | — |
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-105008344-B | Bruton's tyrosine kinase inhibitor | 辉瑞公司 | 2017-07-25 | — | — | CN | disclosed |
| CN-104884458-A | Fused heterocyclic compounds as protein kinase inhibitors | BEIGENE LTD | 2015-09-02 | — | — | CN | disclosed |