Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 3/20 | 0.36 |
| ▸ | MAOA | P21397 | 2/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.34 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.34 |
| ▸ | SLC1A5 | Q15758 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | DRD4 | P21917 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29467354 | 1.00 | MAOB (0.36) | MAOBMAOACHEK1AAK1SLC1A5 | |
| SCHEMBL28728477 | 0.85 | MAOB (0.40) | MAOBMAOACHEK1AAK1MCL1 | |
| SCHEMBL29450158 | 0.78 | KDM4E (0.49) | MCL1GAALMNAALDH1A1 | |
| SCHEMBL28722374 | 0.78 | KDM4E (0.49) | MCL1GAALMNAALDH1A1 | |
| SCHEMBL31690114 | 0.72 | DHODH (0.34) | SMN1; SMN2LMNAALDH1A1MAPK1 | |
| SCHEMBL29133923 | 0.72 | TSHR (0.46) | MCL1SMN1; SMN2GAALMNAALDH1A1 | |
| SCHEMBL30509114 | 0.71 | — | — | |
| SCHEMBL29062483 | 0.71 | — | — | |
| SCHEMBL31690197 | 0.71 | ALDH1A1 (0.38) | SMN1; SMN2LMNAALDH1A1MAPK1 | |
| SCHEMBL31725110 | 0.71 | KDM4E (0.38) | AAK1ALDH1A1HTTMAPK1 |
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-114315900-B | 3-aryl pyrazolopyrimidine derivative and application thereof | 美迪西普胜医药科技(上海)有限公司 | 2023-09-05 | — | — | CN | disclosed |
| CN-114315900-A | 3-arylpyrazolopyrimidine derivative and application thereof | 美迪西普胜医药科技(上海)有限公司 | 2022-04-12 | — | — | CN | disclosed |