Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | NAMPT | P43490 | 2/20 | 0.35 |
| ▸ | KAT7 | O95251 | 1/20 | 0.34 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.34 |
| ▸ | VNN1 | O95497 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | XDH | P47989 | 1/20 | 0.33 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24367867 | 1.00 | HDAC3 (0.36) | HDAC3HDAC1HDAC2HDAC6CYP2C9 | |
| SCHEMBL25541266 | 0.83 | HDAC3 (0.37) | HDAC3HDAC1HDAC2HDAC6CYP2C9 | |
| SCHEMBL21885988 | 0.81 | ALDH1A1 (0.36) | HDAC3HDAC1HDAC2HDAC6CYP2C9 | |
| SCHEMBL30437144 | 0.79 | HSP90AA1 (0.38) | HDAC3HDAC1HDAC2HDAC6CYP2C9 | |
| SCHEMBL2400031 | 0.79 | HSP90AA1 (0.38) | HDAC3HDAC1HDAC2HDAC6CYP2C9 | |
| SCHEMBL987680 | 0.75 | HSP90AA1 (0.38) | HDAC3HDAC1HDAC2HDAC6CYP2C9 | |
| SCHEMBL2400023 | 0.75 | HDAC3 (0.36) | HDAC3HDAC1HDAC2HDAC6CYP2C9 | |
| SCHEMBL21826839 | 0.75 | HDAC3 (0.36) | HDAC3HDAC1HDAC2HDAC6CYP2C9 | |
| SCHEMBL31471242 | 0.75 | HDAC3 (0.39) | HDAC3HDAC1HDAC2HDAC6CYP2C9 | |
| SCHEMBL4481303 | 0.75 | HDAC3 (0.39) | HDAC3HDAC1HDAC2HDAC6CYP2C9 |
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 |