Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLA2G4B | P0C869 | 2/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | PDE4A | P27815 | 1/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.60 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.60 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.60 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.60 |
| ▸ | TP53 | P04637 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.57 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.56 |
| ▸ | S1PR3 | Q99500 | 4/20 | 0.56 |
| ▸ | S1PR5 | Q9H228 | 4/20 | 0.56 |
| ▸ | RARB | P10826 | 3/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL9162853 | 1.00 | PLA2G4B (0.65) | PLA2G4BKDM4ECYP1A2CYP2D6PDE4A | |
| SCHEMBL28283121 | 1.00 | PLA2G4B (0.65) | PLA2G4BKDM4ECYP1A2CYP2D6PDE4A | |
| SCHEMBL9479795 | 1.00 | PLA2G4B (0.65) | PLA2G4BKDM4ECYP1A2CYP2D6PDE4A | |
| SCHEMBL2530981 | 0.95 | KDM4E (0.66) | PLA2G4BKDM4ECYP1A2CYP2D6PDE4A | |
| SCHEMBL2525327 | 0.88 | LMNA (0.58) | PLA2G4BKDM4ECYP1A2CYP2D6PDE4A | |
| SCHEMBL11662474 | 0.85 | PLA2G4B (0.86) | PLA2G4BKDM4ECYP1A2CYP2D6PDE4A | |
| SCHEMBL9522278 | 0.85 | PLA2G4B (0.86) | PLA2G4BKDM4ECYP1A2CYP2D6PDE4A | |
| SCHEMBL9619291 | 0.85 | PLA2G4B (0.86) | PLA2G4BKDM4ECYP1A2CYP2D6PDE4A | |
| SCHEMBL11002800 | 0.85 | PLA2G4B (0.86) | PLA2G4BKDM4ECYP1A2CYP2D6PDE4A | |
| SCHEMBL7391119 | 0.85 | PLA2G4B (0.86) | PLA2G4BKDM4ECYP1A2CYP2D6PDE4A |
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-109456268-A | The preparation of 3, the 4- dihydro-isoquinoline Alkaloid of C1 substitutions and its medical usage | 中国药科大学 | 2019-03-12 | — | — | CN | disclosed |