Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | CASP7 | P55210 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.35 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.35 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.34 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL25325827 | 0.76 | BRD4 (0.44) | ALDH1A1GSK3BPDGFRA | |
| SCHEMBL24365111 | 0.76 | RIPK2 (0.38) | — | |
| SCHEMBL31017216 | 0.76 | RIPK2 (0.38) | — | |
| SCHEMBL24364283 | 0.75 | PRKCZ (0.42) | GSK3BMAPK14 | |
| SCHEMBL30886424 | 0.75 | KDM4E (0.37) | ALDH1A1MEN1KMT2ACYP1A2CYP2C19 | |
| SCHEMBL30886382 | 0.75 | TDO2 (0.36) | — | |
| SCHEMBL24365679 | 0.73 | FGFR1 (0.47) | GSK3BMEN1KMT2AHTT | |
| SCHEMBL3726615 | 0.72 | NPC1 (0.68) | ALDH1A1GSK3BMEN1CASP1CASP7 | |
| SCHEMBL29485612 | 0.72 | NPC1 (0.68) | ALDH1A1GSK3BMEN1CASP1CASP7 | |
| SCHEMBL30886362 | 0.71 | ERCC1 (0.43) | GSK3BCYP1A2 |
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-118047793-A | Pyridine derivative and application thereof | 成都百裕制药股份有限公司 | 2024-05-17 | — | — | CN | disclosed |