Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | XDH | P47989 | 1/20 | 0.32 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | VNN1 | O95497 | 1/20 | 0.30 |
| ▸ | RECQL | P46063 | 1/20 | 0.30 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.30 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8525645 | 0.79 | HSP90AA1 (0.38) | HSP90AA1CYP1A2HDAC3HDAC1HDAC2 | |
| SCHEMBL1829926 | 0.79 | ALDH1A1 (0.38) | HSP90AA1CYP1A2HDAC3HDAC1HDAC2 | |
| SCHEMBL29401404 | 0.79 | KDM4E (0.38) | HSP90AA1CYP1A2DAOHDAC3HDAC1 | |
| SCHEMBL1427937 | 0.76 | — | — | |
| SCHEMBL28362525 | 0.75 | HSP90AA1 (0.40) | HSP90AA1CYP1A2DAOHDAC3HDAC1 | |
| SCHEMBL3298714 | 0.75 | KDM4E (0.35) | HSP90AA1CYP1A2DAOHDAC3HDAC1 | |
| SCHEMBL14835009 | 0.72 | HSP90AA1 (0.34) | HSP90AA1CYP1A2DAOHDAC3HDAC1 | |
| SCHEMBL15798754 | 0.72 | ALDH1A1 (0.36) | HSP90AA1CYP1A2HDAC3HDAC1HDAC2 | |
| SCHEMBL980114 | 0.71 | — | — | |
| SCHEMBL839884 | 0.71 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114555585-B | HPK1 inhibitors and uses thereof | 锐格药业公司 | 2025-02-11 | — | — | CN | disclosed |
| CN-116096370-A | HPK1 inhibitors and uses thereof | 上海齐鲁锐格医药研发有限公司 | 2023-05-09 | — | — | CN | disclosed |