Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.49 |
| ▸ | S1PR1 | P21453 | 6/20 | 0.46 |
| ▸ | S1PR5 | Q9H228 | 6/20 | 0.46 |
| ▸ | S1PR3 | Q99500 | 4/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | PDE4A | P27815 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL31473499 | 0.88 | PLA2G4B (0.52) | PLA2G4BCYP2D6TSHR | |
| SCHEMBL31473498 | 0.88 | PLA2G4B (0.48) | PLA2G4BS1PR1S1PR5S1PR3KDM4E | |
| SCHEMBL31473530 | 0.87 | PLA2G4B (0.47) | PLA2G4BS1PR1S1PR5S1PR3HTR2A | |
| SCHEMBL31473501 | 0.76 | PLA2G4B (0.51) | PLA2G4BCYP2D6TSHR | |
| SCHEMBL31473533 | 0.75 | TP53 (0.53) | PLA2G4BTP53TSHR | |
| SCHEMBL31473508 | 0.73 | S1PR1 (0.47) | PLA2G4BS1PR1S1PR5S1PR3 | |
| SCHEMBL31473519 | 0.73 | S1PR1 (0.47) | PLA2G4BS1PR1S1PR5S1PR3 | |
| SCHEMBL9162853 | 0.73 | PLA2G4B (0.65) | PLA2G4BS1PR1S1PR5S1PR3KDM4E | |
| SCHEMBL9479795 | 0.73 | PLA2G4B (0.65) | PLA2G4BS1PR1S1PR5S1PR3KDM4E | |
| SCHEMBL28283121 | 0.73 | PLA2G4B (0.65) | PLA2G4BS1PR1S1PR5S1PR3KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2025061176-A1 | CYCLOALKANE-SUBSTITUTED AMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海科技大学 | 2025-03-27 | — | — | WO | disclosed |
| CN-119661404-A | Cycloalkane substituted amine derivative, preparation method and application thereof | 上海科技大学 | 2025-03-21 | — | — | CN | disclosed |