Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM5B | Q9UGL1 | 2/20 | 0.43 |
| ▸ | KDM5A | P29375 | 1/20 | 0.43 |
| ▸ | UTS2R | Q9UKP6 | 2/20 | 0.41 |
| ▸ | PDE9A | O76083 | 3/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.40 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.37 |
| ▸ | CDK1 | P06493 | 1/20 | 0.37 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.37 |
| ▸ | GSK3A | P49840 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.37 |
| ▸ | HCAR1 | Q9BXC0 | 3/20 | 0.37 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.37 |
| ▸ | HTR3A | P46098 | 1/20 | 0.37 |
| ▸ | HRH4 | Q9H3N8 | 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 | |
|---|---|---|---|---|
| SCHEMBL2723259 | 0.95 | KDM5B (0.39) | KDM5BKDM5AUTS2RPDE9AATM | |
| SCHEMBL11099597 | 0.72 | HTR2B (0.47) | AAK1HTR3AHRH4 | |
| SCHEMBL7160459 | 0.72 | HTR2B (0.47) | AAK1HTR3AHRH4 | |
| SCHEMBL18322608 | 0.72 | HTR2B (0.47) | AAK1HTR3AHRH4 | |
| Water SCHEMBL29258021 | 0.70 | HTR2B (0.46) | AAK1HTR3AHRH4 | |
| SCHEMBL28202924 | 0.70 | — | — | |
| SCHEMBL12949353 | 0.70 | KDM4C (0.48) | PDE9AATMHCAR1 | |
| SCHEMBL1901089 | 0.69 | HTR2B (0.48) | AAK1HTR3AHRH4 | |
| SCHEMBL10927286 | 0.69 | — | — | |
| SCHEMBL27593528 | 0.68 | HCAR1 (0.38) | KDM5BKDM5AATMHCAR1 |
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-101475536-A | Polysubstituted S-DACO derivative, synthesizing method and use thereof | UNIV YUNNAN (CN) | 2009-07-08 | — | — | CN | disclosed |