Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNC | P24863 | 1/20 | 0.46 |
| ▸ | CDK8 | P49336 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.46 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.46 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.41 |
| ▸ | SELE | P16581 | 1/20 | 0.41 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.41 |
| ▸ | CSNK2A2 | P19784 | 2/20 | 0.40 |
| ▸ | CSNK2B | P67870 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6331785 | 0.86 | CCNC (0.49) | CCNCCDK8HDAC1HDAC3HDAC4 | |
| SCHEMBL828767 | 0.84 | CSNK2A2 (0.44) | CCNCCDK8HDAC1HDAC3HDAC4 | |
| SCHEMBL30714296 | 0.82 | RPS6KB1 (0.45) | CCNCCDK8HDAC1HDAC3HDAC4 | |
| SCHEMBL26110533 | 0.82 | RPS6KB1 (0.45) | CCNCCDK8HDAC1HDAC3HDAC4 | |
| SCHEMBL9431710 | 0.82 | HDAC1 (0.52) | CCNCCDK8HDAC1HDAC3HDAC4 | |
| SCHEMBL3822544 | 0.79 | ICAM1 (0.41) | CCNCCDK8HDAC1HDAC3HDAC4 | |
| SCHEMBL829477 | 0.79 | CCNC (0.48) | CCNCCDK8HDAC1HDAC3HDAC4 | |
| SCHEMBL828439 | 0.79 | HDAC3 (0.68) | CCNCCDK8HDAC1HDAC3HDAC4 | |
| SCHEMBL9432038 | 0.78 | CCNC (0.47) | CCNCCDK8HDAC1HDAC3HDAC4 | |
| SCHEMBL2138333 | 0.78 | CCNC (0.50) | CCNCCDK8HDAC1HDAC3HDAC4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023274383-A1 | KRAS G12D INHIBITOR AND USE THEREOF | 上海迪诺医药科技有限公司 | 2023-01-05 | — | — | WO | disclosed |
| CN-115557974-A | KRAS G12D inhibitor and application thereof | 上海迪诺医药科技有限公司 | 2023-01-03 | — | — | CN | disclosed |