Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.48 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 5/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.38 |
| ▸ | SNCA | P37840 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28147814 | 1.00 | PTGS1 (0.48) | PTGS1NFE2L2PDE4BMMP9PDE3A | |
| SCHEMBL29954892 | 0.81 | ALDH1A1 (0.50) | PDE4BPDE3AKDM4EALDH1A1PDE4A | |
| SCHEMBL29954114 | 0.76 | PDE4B (0.51) | PDE4BPDE3AALDH1A1PDE4APDE4C | |
| SCHEMBL2458079 | 0.74 | CYP1A1 (0.61) | PTGS1NFE2L2MMP9KDM4EALDH1A1 | |
| SCHEMBL1301189 | 0.74 | CYP1A1 (0.61) | PTGS1NFE2L2MMP9KDM4EALDH1A1 | |
| SCHEMBL1301186 | 0.74 | CYP1A1 (0.61) | PTGS1NFE2L2MMP9KDM4EALDH1A1 | |
| SCHEMBL30625282 | 0.74 | CYP1A1 (0.61) | PTGS1NFE2L2MMP9KDM4EALDH1A1 | |
| SCHEMBL2679429 | 0.69 | PTGS1 (0.54) | PTGS1NFE2L2MMP9KDM4EALDH1A1 | |
| SCHEMBL16670596 | 0.69 | NFE2L2 (0.51) | PTGS1NFE2L2MMP9KDM4EALDH1A1 | |
| SCHEMBL16517057 | 0.69 | CA12 (0.55) | PDE4BALDH1A1KMT2APDE4APDE4C |
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-106674086-B | A kind of piperidones Alkaloid compound and its preparation method and application | 西安交通大学 | 2019-04-12 | — | — | CN | disclosed |
| CN-106674086-A | Piperidone alkaloid compounds as well as preparation method and application thereof | 西安交通大学 | 2017-05-17 | — | — | CN | disclosed |