Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 1/20 | 0.50 |
| ▸ | KDR | P35968 | 1/20 | 0.50 |
| ▸ | BACE1 | P56817 | 2/20 | 0.47 |
| ▸ | TTK | P33981 | 3/20 | 0.46 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.46 |
| ▸ | CDK2 | P24941 | 2/20 | 0.46 |
| ▸ | AXL | P30530 | 1/20 | 0.45 |
| ▸ | BRAF | P15056 | 1/20 | 0.45 |
| ▸ | SRC | P12931 | 1/20 | 0.44 |
| ▸ | AIMP2 | Q13155 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 3/20 | 0.42 |
| ▸ | JAK2 | O60674 | 1/20 | 0.42 |
| ▸ | JAK3 | P52333 | 1/20 | 0.42 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.42 |
| ▸ | ZAP70 | P43403 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.41 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.41 |
| ▸ | FLT3 | P36888 | 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 | |
|---|---|---|---|---|
| SCHEMBL16514778 | 1.00 | CDK1 (0.50) | CDK1KDRBACE1TTKCCNA2 | |
| SCHEMBL29847765 | 0.94 | KDR (0.47) | CDK1KDRBACE1TTKCCNA2 | |
| SCHEMBL16513754 | 0.94 | KDR (0.47) | CDK1KDRBACE1TTKCCNA2 | |
| SCHEMBL16823021 | 0.91 | BACE1 (0.45) | CDK1KDRBACE1TTKCCNA2 | |
| SCHEMBL29846933 | 0.91 | BACE1 (0.45) | CDK1KDRBACE1TTKCCNA2 | |
| SCHEMBL29847977 | 0.91 | CDK1 (0.54) | CDK1KDRBACE1TTKCCNA2 | |
| SCHEMBL16823034 | 0.91 | CDK1 (0.54) | CDK1KDRBACE1TTKCCNA2 | |
| SCHEMBL16515228 | 0.90 | AIMP2 (0.48) | BACE1TTKCCNA2CDK2AXL | |
| SCHEMBL29847941 | 0.90 | AIMP2 (0.48) | BACE1TTKCCNA2CDK2AXL | |
| SCHEMBL29847679 | 0.88 | CDK2 (0.45) | CDK1KDRTTKCCNA2CDK2 |
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-109851617-B | Chemical entities, compositions, and methods | 润新生物公司 | 2022-08-16 | — | — | CN | disclosed |