Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 7/20 | 0.34 |
| ▸ | DRD3 | P35462 | 6/20 | 0.34 |
| ▸ | DRD4 | P21917 | 4/20 | 0.34 |
| ▸ | DRD1 | P21728 | 2/20 | 0.34 |
| ▸ | DRD5 | P21918 | 2/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 6/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 6/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | HTR1D | P28221 | 2/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | HTR5A | P47898 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17528453 | 1.00 | DRD2 (0.34) | DRD2DRD3DRD4DRD1DRD5 | |
| SCHEMBL17506155 | 0.78 | DRD2 (0.32) | DRD2DRD3DRD4DRD1DRD5 | |
| SCHEMBL17506154 | 0.78 | DRD2 (0.32) | DRD2DRD3DRD4DRD1DRD5 | |
| SCHEMBL17528481 | 0.73 | DRD2 (0.36) | DRD2DRD3DRD4DRD1DRD5 | |
| SCHEMBL19170232 | 0.68 | CDK4 (0.32) | — | |
| SCHEMBL19179847 | 0.64 | SLC10A2 (0.54) | — | |
| SCHEMBL7470085 | 0.64 | SLC10A2 (0.33) | PDE4BPDE4DDPP4 | |
| SCHEMBL7472192 | 0.64 | SLC10A2 (0.33) | PDE4BPDE4DDPP4 | |
| SCHEMBL22544236 | 0.63 | DPP4 (0.33) | PDE4BPDE4DDPP4 | |
| SCHEMBL14537817 | 0.62 | MAPT (0.38) | DRD2DRD3DRD4DRD1DRD5 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3177600-B1 | SYNTHESIS OF BENZOTHIAZEPINES | GLAXOSMITHKLINE IP NO 2 LTD (GB) | 2018-05-23 | — | — | EP | disclosed |