Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | COMT | P21964 | 1/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.40 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.40 |
| ▸ | APP | P05067 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | KDM6A | O15550 | 1/20 | 0.40 |
| ▸ | KDM4A | O75164 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KDM5C | P41229 | 1/20 | 0.40 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30669379 | 1.00 | CYP2D6 (0.55) | CYP2D6KDM4ETP53HTTSMN1; SMN2 | |
| SCHEMBL30669321 | 0.84 | KDM4E (0.51) | CYP2D6KDM4ETP53HTTSMN1; SMN2 | |
| SCHEMBL30669381 | 0.84 | KDM4E (0.51) | CYP2D6KDM4ETP53HTTSMN1; SMN2 | |
| SCHEMBL30669364 | 0.83 | KDM4E (0.50) | CYP2D6KDM4ETP53HTTSMN1; SMN2 | |
| SCHEMBL30669357 | 0.83 | KDM4E (0.50) | CYP2D6KDM4ETP53HTTSMN1; SMN2 | |
| SCHEMBL30669346 | 0.81 | SMN1; SMN2 (0.60) | CYP2D6KDM4ETP53HTTSMN1; SMN2 | |
| SCHEMBL30669409 | 0.81 | SMN1; SMN2 (0.60) | CYP2D6KDM4ETP53HTTSMN1; SMN2 | |
| SCHEMBL30669351 | 0.79 | HTT (0.63) | CYP2D6KDM4ETP53HTTSMN1; SMN2 | |
| SCHEMBL30669344 | 0.78 | HTT (0.47) | CYP2D6KDM4ETP53HTTSMN1; SMN2 | |
| SCHEMBL30669361 | 0.78 | HTT (0.47) | CYP2D6KDM4ETP53HTTSMN1; 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 |