Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 2/20 | 0.45 |
| ▸ | MAPK14 | Q16539 | 4/20 | 0.42 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | LIPE | Q05469 | 1/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
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 | 0.90 | COMT (0.49) | COMTMAPK14GSTP1ALDH1A1NPC1 | |
| SCHEMBL28905755 | 0.88 | COMT (0.40) | COMTMAPK14GSTP1NPC1RAB9A | |
| SCHEMBL9652539 | 0.88 | MAPK14 (0.49) | COMTMAPK14GSTP1ALDH1A1NPC1 | |
| SCHEMBL28500762 | 0.88 | COMT (0.53) | COMTMAPK14 | |
| SCHEMBL20541074 | 0.87 | COMT (0.51) | COMTMAPK14GSTP1 | |
| SCHEMBL28507869 | 0.87 | COMT (0.45) | COMTMAPK14GSTP1 | |
| SCHEMBL28508801 | 0.87 | COMT (0.52) | COMTMAPK14 | |
| SCHEMBL28506693 | 0.86 | COMT (0.56) | COMTMAPK14GSTP1 | |
| SCHEMBL28510028 | 0.86 | COMT (0.51) | COMTMAPK14 | |
| SCHEMBL28507868 | 0.86 | COMT (0.51) | COMTMAPK14 |
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 |