Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | IDO1 | P14902 | 2/20 | 0.48 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | KDM6A | O15550 | 1/20 | 0.38 |
| ▸ | KDM4A | O75164 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KDM5C | P41229 | 1/20 | 0.38 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.38 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.38 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.37 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.37 |
| ▸ | COMT | P21964 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30669341 | 1.00 | KDM4E (0.49) | KDM4ETP53CYP2D6HTTSMN1; SMN2 | |
| SCHEMBL30669350 | 0.85 | KDM4E (0.46) | KDM4ETP53CYP2D6HTTSMN1; SMN2 | |
| SCHEMBL30669331 | 0.85 | KDM4E (0.46) | KDM4ETP53CYP2D6HTTSMN1; SMN2 | |
| SCHEMBL30669409 | 0.84 | SMN1; SMN2 (0.60) | KDM4ETP53CYP2D6HTTSMN1; SMN2 | |
| SCHEMBL30669346 | 0.84 | SMN1; SMN2 (0.60) | KDM4ETP53CYP2D6HTTSMN1; SMN2 | |
| SCHEMBL30669361 | 0.84 | HTT (0.47) | KDM4ETP53CYP2D6HTTSMN1; SMN2 | |
| SCHEMBL30669344 | 0.84 | HTT (0.47) | KDM4ETP53CYP2D6HTTSMN1; SMN2 | |
| SCHEMBL30669340 | 0.81 | KDM4E (0.44) | KDM4ETP53CYP2D6HTTSMN1; SMN2 | |
| SCHEMBL30669349 | 0.81 | KDM4E (0.44) | KDM4ETP53CYP2D6HTTSMN1; SMN2 | |
| SCHEMBL30669374 | 0.79 | KDM4E (0.49) | KDM4ETP53CYP2D6HTTSMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117105853-A | 3-hydroxypyridine-4 (H) -ketone derivative, and preparation method and application thereof | 浙江工业大学 | 2023-11-24 | — | — | CN | disclosed |