Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 12/20 | 0.52 |
| ▸ | BCR | P11274 | 12/20 | 0.52 |
| ▸ | RAF1 | P04049 | 6/20 | 0.44 |
| ▸ | BRAF | P15056 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29921615 | 1.00 | ABL1 (0.52) | ABL1BCRRAF1BRAFCYP1A2 | |
| SCHEMBL29921741 | 0.87 | ABL1 (0.65) | ABL1BCRRAF1BRAF | |
| SCHEMBL29071318 | 0.87 | ABL1 (0.65) | ABL1BCRRAF1BRAF | |
| SCHEMBL29921343 | 0.87 | ABL1 (0.49) | ABL1BCRRAF1BRAFCYP1A2 | |
| SCHEMBL29071268 | 0.87 | ABL1 (0.49) | ABL1BCRRAF1BRAFCYP1A2 | |
| SCHEMBL29071286 | 0.82 | ABL1 (0.54) | ABL1BCRRAF1BRAF | |
| SCHEMBL29921668 | 0.82 | ABL1 (0.54) | ABL1BCRRAF1BRAF | |
| SCHEMBL29071292 | 0.81 | ABL1 (0.57) | ABL1BCRRAF1BRAF | |
| SCHEMBL29921432 | 0.81 | ABL1 (0.57) | ABL1BCRRAF1BRAF | |
| SCHEMBL29071253 | 0.79 | ABL1 (0.58) | ABL1BCRRAF1BRAF |
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-116761801-A | Heterocyclic compounds having protein kinase inhibitory activity, pharmaceutical compositions containing the same, and methods of preparing and using the same | 四川科伦博泰生物医药股份有限公司 | 2023-09-15 | — | — | CN | disclosed |