Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.36 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.35 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.34 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.34 |
| ▸ | PTGER1 | P34995 | 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 | |
|---|---|---|---|---|
| SCHEMBL20540841 | 0.88 | COMT (0.41) | COMTMAPK14GRM2GSTP1NPC1 | |
| SCHEMBL28503026 | 0.86 | COMT (0.40) | COMTMAPK14GRM2GSTP1NPC1 | |
| SCHEMBL28905755 | 0.84 | COMT (0.40) | COMTMAPK14GSTP1NPC1CYP1A2 | |
| SCHEMBL28507869 | 0.84 | COMT (0.45) | COMTMAPK14GSTP1LOXL2 | |
| SCHEMBL20540640 | 0.82 | COMT (0.40) | COMTMAPK14GSTP1ABCB1ABCG2 | |
| SCHEMBL20540620 | 0.82 | COMT (0.40) | COMTMAPK14GSTP1 | |
| SCHEMBL28513996 | 0.82 | COMT (0.38) | COMTMAPK14 | |
| SCHEMBL20540920 | 0.82 | COMT (0.49) | COMTMAPK14GSTP1LOXL2BRD4 | |
| SCHEMBL28501968 | 0.81 | COMT (0.45) | COMTMAPK14GSTP1NPC1CYP1A2 | |
| SCHEMBL28510281 | 0.81 | GRM2 (0.51) | COMTMAPK14GRM2GSTP1NPC1 |
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 |