Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 2/20 | 0.51 |
| ▸ | COMT | P21964 | 1/20 | 0.46 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | RHEB | Q15382 | 1/20 | 0.37 |
| ▸ | ATP4A | P20648 | 1/20 | 0.37 |
| ▸ | ATP4B | P51164 | 1/20 | 0.37 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TYR | P14679 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28499829 | 0.87 | COMT (0.49) | COMTBRD4MAPK14RHEBATP4A | |
| SCHEMBL20541074 | 0.87 | COMT (0.51) | COMTBRD4MAPK14RHEBGSTP1 | |
| SCHEMBL28506693 | 0.85 | COMT (0.56) | COMTBRD4MAPK14GSTP1 | |
| SCHEMBL28500762 | 0.85 | COMT (0.53) | COMTBRD4MAPK14RHEBATP4A | |
| SCHEMBL20540920 | 0.84 | COMT (0.49) | COMTBRD4MAPK14RHEBGSTP1 | |
| SCHEMBL28501968 | 0.84 | COMT (0.45) | COMTMAPK14GSTP1NPC1RAB9A | |
| SCHEMBL20540841 | 0.84 | COMT (0.41) | GRM2COMTMAPK14GSTP1NPC1 | |
| SCHEMBL28508801 | 0.84 | COMT (0.52) | COMTBRD4MAPK14TYR | |
| SCHEMBL28498614 | 0.83 | COMT (0.51) | COMTMAPK14TYR | |
| SCHEMBL28507868 | 0.83 | COMT (0.51) | COMTMAPK14TYR |
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 |