Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 1/20 | 0.51 |
| ▸ | TYR | P14679 | 2/20 | 0.51 |
| ▸ | TLR4 | O00206 | 1/20 | 0.46 |
| ▸ | TLR3 | O15455 | 1/20 | 0.46 |
| ▸ | TLR5 | O60602 | 1/20 | 0.46 |
| ▸ | TLR2 | O60603 | 1/20 | 0.46 |
| ▸ | CAMK2B | Q13554 | 1/20 | 0.46 |
| ▸ | CAMK2G | Q13555 | 1/20 | 0.46 |
| ▸ | CAMK2D | Q13557 | 1/20 | 0.46 |
| ▸ | CAMK1 | Q14012 | 1/20 | 0.46 |
| ▸ | CAMK4 | Q16566 | 1/20 | 0.46 |
| ▸ | PNCK | Q6P2M8 | 1/20 | 0.46 |
| ▸ | CAMK1D | Q8IU85 | 1/20 | 0.46 |
| ▸ | CAMK1G | Q96NX5 | 1/20 | 0.46 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.46 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.46 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.46 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28500764 | 1.00 | COMT (0.51) | COMTTYRTLR4TLR3TLR5 | |
| SCHEMBL28498614 | 1.00 | COMT (0.51) | COMTTYRTLR4TLR3TLR5 | |
| SCHEMBL28507868 | 1.00 | COMT (0.51) | COMTTYRTLR4TLR3TLR5 | |
| SCHEMBL28508801 | 0.99 | COMT (0.52) | COMTTYRTLR4TLR3TLR5 | |
| SCHEMBL28500762 | 0.95 | COMT (0.53) | COMTTYRTLR4TLR3TLR5 | |
| SCHEMBL28499829 | 0.91 | COMT (0.49) | COMTTYRMAPK14 | |
| SCHEMBL28501968 | 0.86 | COMT (0.45) | COMTMAPK14 | |
| SCHEMBL20541074 | 0.86 | COMT (0.51) | COMTMAPK14 | |
| SCHEMBL28506693 | 0.84 | COMT (0.56) | COMTMAPK14 | |
| SCHEMBL28499825 | 0.84 | TYR (0.44) | COMTTYRTLR4TLR3TLR5 |
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-112062713-B | ALA-HPO hybrid derivative with iron chelation and PDT activity and preparation method and application thereof | 浙江工业大学 | 2023-03-31 | — | — | CN | disclosed |
| CN-112062713-A | ALA-HPO hybrid derivative with iron chelation and PDT activity and preparation method and application thereof | 浙江工业大学 | 2020-12-11 | — | — | CN | disclosed |