Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 4/20 | 0.49 |
| ▸ | BCL6 | P41182 | 12/20 | 0.48 |
| ▸ | NCOR2 | Q9Y618 | 2/20 | 0.46 |
| ▸ | EGFR | P00533 | 2/20 | 0.45 |
| ▸ | ITK | Q08881 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | AURKA | O14965 | 1/20 | 0.42 |
| ▸ | SYK | P43405 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28656461 | 0.91 | BCL6 (0.51) | PIN1BCL6NCOR2MAPTSYK | |
| SCHEMBL30675101 | 0.90 | PIN1 (0.52) | PIN1EGFRPOLBMAPTMAPK1 | |
| SCHEMBL31684791 | 0.85 | PIN1 (0.54) | PIN1BCL6NCOR2EGFRMAPT | |
| SCHEMBL2101226 | 0.83 | BCL6 (0.56) | BCL6NCOR2EGFRAURKASYK | |
| SCHEMBL653516 | 0.83 | BCL6 (0.59) | BCL6NCOR2EGFRITKPOLB | |
| SCHEMBL21647422 | 0.83 | PIN1 (0.62) | PIN1EGFRITKPOLBMAPT | |
| SCHEMBL654346 | 0.82 | BCL6 (0.58) | BCL6NCOR2EGFRITKAURKA | |
| SCHEMBL656650 | 0.81 | BCL6 (0.54) | BCL6NCOR2EGFRITKAURKA | |
| SCHEMBL655866 | 0.81 | BCL6 (0.59) | BCL6NCOR2EGFRITKAURKA | |
| SCHEMBL658038 | 0.80 | BCL6 (0.71) | BCL6NCOR2EGFRMAPTAURKA |
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-108976172-B | 4-pyrimidinediamine micromolecule organic compound and derivative and application thereof | 华东师范大学 | 2021-12-07 | — | — | CN | disclosed |