Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | PIM1 | P11309 | 1/20 | 0.41 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.41 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.40 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13790221 | 0.83 | CYP2D6 (0.50) | CYP2D6PIM1PIM2GRIK1GRIK2 | |
| SCHEMBL13990592 | 0.81 | CYP2D6 (0.43) | CYP2D6PIM1PIM2GRIK1GRIK2 | |
| SCHEMBL5535850 | 0.81 | ALDH1A1 (0.48) | CYP2D6PIM1PIM2GRIK1GRIK2 | |
| SCHEMBL2097570 | 0.81 | ALDH1A1 (0.48) | CYP2D6PIM1PIM2GRIK1GRIK2 | |
| SCHEMBL74857 | 0.80 | CYP2D6 (0.45) | CYP2D6PIM1PIM2GRIK1GRIK2 | |
| SCHEMBL74858 | 0.80 | CYP2D6 (0.45) | CYP2D6PIM1PIM2GRIK1GRIK2 | |
| SCHEMBL171790 | 0.79 | ALDH1A1 (0.50) | CYP2D6PIM1PIM2GRIK1GRIK2 | |
| SCHEMBL10779368 | 0.77 | ALDH1A1 (0.41) | MAPTKDM4EMAOBALDH1A1TSHR | |
| SCHEMBL10779372 | 0.77 | ALDH1A1 (0.41) | MAPTKDM4EMAOBALDH1A1TSHR | |
| SCHEMBL10078426 | 0.77 | ALDH1A1 (0.44) | CYP2D6PIM1PIM2GRIK1GRIK2 |
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-114957120-A | Alkenyl homopiperidine compound and preparation method thereof | 苏州大学 | 2022-08-30 | — | — | CN | disclosed |