Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.33 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
| ▸ | NOS1 | P29475 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21246950 | 0.83 | S1PR1 (0.38) | DRD2S1PR1S1PR3S1PR5HRH3 | |
| SCHEMBL21246968 | 0.83 | NOS3 (0.32) | S1PR1S1PR3S1PR5HRH3NOS3 | |
| SCHEMBL18091474 | 0.79 | HRH3 (0.44) | S1PR1S1PR3S1PR5HRH3NOS3 | |
| SCHEMBL18506727 | 0.79 | S1PR1 (0.49) | DRD2DRD3S1PR1S1PR3S1PR5 | |
| SCHEMBL24683346 | 0.77 | DRD2 (0.36) | DRD2DRD3S1PR1S1PR3S1PR5 | |
| SCHEMBL25355767 | 0.77 | DRD2 (0.36) | DRD2DRD3S1PR1S1PR3S1PR5 | |
| SCHEMBL24179174 | 0.77 | S1PR1 (0.51) | S1PR1S1PR3S1PR5 | |
| SCHEMBL2209695 | 0.77 | KEAP1 (0.50) | DRD2DRD3CYP2D6ALOX15 | |
| SCHEMBL23226782 | 0.77 | HRH3 (0.33) | HRH3NOS3NOS1NOS2 | |
| Bromide SCHEMBL20551357 | 0.77 | HRH3 (0.42) | HRH3NOS3NOS1NOS2 |
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-111788207-B | Dioxane quinoline compound and preparation method and application thereof | 北京赛特明强医药科技有限公司 | 2021-03-23 | — | — | CN | disclosed |
| CN-111788207-A | Dioxane quinoline compound and preparation method and application thereof | 北京赛特明强医药科技有限公司 | 2020-10-16 | — | — | CN | disclosed |