Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 5/20 | 0.53 |
| ▸ | NTRK1 | P04629 | 5/20 | 0.52 |
| ▸ | NUAK1 | O60285 | 1/20 | 0.51 |
| ▸ | WEE1 | P30291 | 4/20 | 0.49 |
| ▸ | BCL6 | P41182 | 1/20 | 0.49 |
| ▸ | JAK1 | P23458 | 2/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.48 |
| ▸ | ULK1 | O75385 | 1/20 | 0.47 |
| ▸ | CDK1 | P06493 | 1/20 | 0.47 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.47 |
| ▸ | CDK7 | P50613 | 1/20 | 0.47 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.47 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.47 |
| ▸ | BTK | Q06187 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL29052418 | 0.99 | BRD4 (0.52) | BRD4NTRK1NUAK1WEE1BCL6 | |
| SCHEMBL29051777 | 0.83 | BRD4 (0.54) | BRD4NTRK1WEE1BCL6JAK1 | |
| SCHEMBL30468478 | 0.79 | NTRK1 (0.47) | NTRK1WEE1PTK2BTK | |
| Hydrochloric Acid SCHEMBL29052364 | 0.78 | NTRK1 (0.46) | NTRK1WEE1PTK2BTK | |
| SCHEMBL29051917 | 0.76 | NTRK1 (0.47) | BRD4NTRK1NUAK1BCL6JAK1 | |
| SCHEMBL30468456 | 0.76 | NTRK1 (0.47) | BRD4NTRK1NUAK1BCL6JAK1 | |
| Hydrochloric Acid SCHEMBL29051911 | 0.76 | PTK2 (0.51) | PTK2BTK | |
| SCHEMBL30468470 | 0.75 | PTK2 (0.47) | NTRK1WEE1BCL6CDK1CDK7 | |
| SCHEMBL29051912 | 0.75 | PTK2 (0.49) | BRD4WEE1PTK2PTK2BBTK | |
| Hydrochloric Acid SCHEMBL29051788 | 0.75 | BTK (0.45) | WEE1PTK2BTK |
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-116332910-A | 2-aminopyrimidine derivatives as kinase inhibitors, preparation and use thereof | 江苏威凯尔医药科技有限公司 | 2023-06-27 | — | — | CN | disclosed |