Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| SCHEMBL29199841 | 1.00 | CNR1 (0.31) | CNR1POLBHTR2ASLC6A4KCNH2 | |
| SCHEMBL26345777 | 1.00 | CNR1 (0.31) | CNR1POLBHTR2ASLC6A4KCNH2 | |
| SCHEMBL20237851 | 0.86 | PSEN1 (0.40) | HTR2ASLC6A4KCNH2 | |
| SCHEMBL29668771 | 0.86 | PSEN1 (0.40) | HTR2ASLC6A4KCNH2 | |
| SCHEMBL30582950 | 0.86 | PSEN1 (0.40) | HTR2ASLC6A4KCNH2 | |
| SCHEMBL23148371 | 0.86 | PSEN1 (0.40) | HTR2ASLC6A4KCNH2 | |
| SCHEMBL20237852 | 0.86 | PSEN1 (0.40) | HTR2ASLC6A4KCNH2 | |
| SCHEMBL23148369 | 0.86 | PSEN1 (0.40) | HTR2ASLC6A4KCNH2 | |
| SCHEMBL21063771 | 0.86 | PSEN1 (0.40) | HTR2ASLC6A4KCNH2 | |
| SCHEMBL20237848 | 0.86 | PSEN1 (0.40) | HTR2ASLC6A4KCNH2 |
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-117088854-A | Pharmaceutically acceptable salts and crystal forms of triazinedione derivatives and preparation method thereof | 江苏恒瑞医药股份有限公司 | 2023-11-21 | — | — | CN | disclosed |
| CN-116323598-A | Triazine diketone derivative, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2023-06-23 | — | — | CN | disclosed |