Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 13/20 | 0.40 |
| ▸ | XIAP | P98170 | 1/20 | 0.35 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.35 |
| ▸ | FERMT2 | Q96AC1 | 1/20 | 0.34 |
| ▸ | KMO | O15229 | 1/20 | 0.33 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 1/20 | 0.31 |
| ▸ | CCNC | P24863 | 1/20 | 0.31 |
| ▸ | CDK8 | P49336 | 1/20 | 0.31 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4758327 | 1.00 | AAK1 (0.40) | AAK1XIAPBIRC2FERMT2KMO | |
| SCHEMBL6473651 | 0.81 | CYP1A2 (0.34) | AAK1KMOEPHB4 | |
| SCHEMBL6033046 | 0.81 | AAK1 (0.32) | AAK1 | |
| SCHEMBL16110837 | 0.77 | AAK1 (0.34) | AAK1XIAPBIRC2FERMT2CCNC | |
| SCHEMBL17490355 | 0.77 | AAK1 (0.42) | AAK1XIAPBIRC2FERMT2 | |
| SCHEMBL22972418 | 0.77 | AAK1 (0.34) | AAK1XIAPBIRC2FERMT2CCNC | |
| SCHEMBL29622889 | 0.77 | AAK1 (0.34) | AAK1XIAPBIRC2FERMT2CCNC | |
| SCHEMBL6004735 | 0.77 | KMO (0.33) | KMOEPHB4LRRK2 | |
| SCHEMBL9984695 | 0.74 | PARP1 (0.44) | — | |
| SCHEMBL16132325 | 0.73 | AAK1 (0.41) | AAK1XIAPBIRC2FERMT2 |
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-114391009-A | Quinoline derivatives as protein kinase inhibitors | BCI制药公司 | 2022-04-22 | — | — | CN | disclosed |