Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 5/20 | 0.72 |
| ▸ | DRD2 | P14416 | 3/20 | 0.58 |
| ▸ | HTR1A | P08908 | 1/20 | 0.58 |
| ▸ | DRD3 | P35462 | 2/20 | 0.57 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.55 |
| ▸ | HTR7 | P34969 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.53 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.53 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL3242189 | 0.87 | DRD4 (0.77) | DRD4DRD2HTR1ADRD3SIGMAR1 | |
| SCHEMBL6031812 | 0.84 | DRD4 (1.00) | DRD4DRD2HTR1ADRD3SIGMAR1 | |
| SCHEMBL6221968 | 0.84 | DRD4 (0.72) | DRD4DRD2HTR1ADRD3SIGMAR1 | |
| SCHEMBL9720693 | 0.83 | DRD4 (0.87) | DRD4DRD2DRD3SIGMAR1HTR7 | |
| SCHEMBL3320211 | 0.82 | DRD4 (0.74) | DRD4DRD2DRD3SIGMAR1HTR7 | |
| SCHEMBL12861757 | 0.81 | DRD4 (0.79) | DRD4DRD2HTR1ADRD3SIGMAR1 | |
| SCHEMBL4649494 | 0.81 | DRD4 (0.87) | DRD4DRD2DRD3SIGMAR1KDM4E | |
| SCHEMBL22532699 | 0.81 | DRD4 (0.79) | DRD4DRD2HTR1ADRD3SIGMAR1 | |
| SCHEMBL10713886 | 0.80 | DRD4 (0.66) | DRD4DRD2DRD3SIGMAR1HTR7 | |
| SCHEMBL13959204 | 0.80 | HTR1A (0.71) | DRD4DRD2HTR1ASIGMAR1ADRA1D |
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-106957280-B | Ether-type aryl bridged piperazine derivatives and its salt, preparation method and the purposes in preparation treatment anti-tumor drug | 洛阳师范学院 | 2019-02-15 | — | — | CN | disclosed |
| CN-106957280-A | Ether-type aryl bridged piperazine derivatives and its salt, preparation method and the purposes in treatment antineoplastic is prepared | 洛阳师范学院 | 2017-07-18 | — | — | CN | disclosed |