Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 5/20 | 0.39 |
| ▸ | MAOB | P27338 | 5/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | PDE5A | O76074 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | PDE1A | P54750 | 1/20 | 0.33 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 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 | |
|---|---|---|---|---|
| SCHEMBL25256864 | 1.00 | KDM4E (0.40) | KDM4EGAASMN1; SMN2MAOAMAOB | |
| SCHEMBL32673138 | 0.82 | KDM4E (0.41) | KDM4EGAASMN1; SMN2MAOAMAOB | |
| SCHEMBL2221729 | 0.79 | KDM4E (0.42) | KDM4EGAASMN1; SMN2MAOAMAOB | |
| SCHEMBL30496989 | 0.79 | KDM4E (0.39) | KDM4EGAASMN1; SMN2MAOAMAOB | |
| SCHEMBL31496953 | 0.79 | GAA (0.58) | KDM4EGAASMN1; SMN2MAOAMAOB | |
| SCHEMBL286550 | 0.79 | KDM4E (0.39) | KDM4EGAASMN1; SMN2MAOAMAOB | |
| SCHEMBL30400829 | 0.79 | KDM4E (0.39) | KDM4EGAASMN1; SMN2MAOAMAOB | |
| SCHEMBL2729772 | 0.79 | KDM4E (0.39) | KDM4EGAASMN1; SMN2MAOAMAOB | |
| SCHEMBL31496832 | 0.77 | CYP3A4 (0.53) | KDM4EGAASMN1; SMN2MAOAMAOB | |
| SCHEMBL30546380 | 0.75 | KDM4E (0.36) | KDM4EGAASMN1; SMN2MAOAMAOB |
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-117730075-A | Pyrazole derivative, preparation method and pharmaceutical application thereof | 上海和誉生物医药科技有限公司 | 2024-03-19 | — | — | CN | disclosed |