Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.47 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.47 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | DRD1 | P21728 | 8/20 | 0.46 |
| ▸ | DRD5 | P21918 | 8/20 | 0.46 |
| ▸ | DRD2 | P14416 | 7/20 | 0.46 |
| ▸ | DRD3 | P35462 | 6/20 | 0.43 |
| ▸ | DRD4 | P21917 | 3/20 | 0.42 |
| ▸ | MAOA | P21397 | 3/20 | 0.41 |
| ▸ | MAOB | P27338 | 3/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14945586 | 0.84 | ADRA2A (0.49) | ADRA2ACYP2D6ADRA2BADRA2CADRA1D | |
| SCHEMBL24462606 | 0.82 | ADRA2A (0.47) | ADRA2ACYP2D6ADRA2BADRA2CADRA1D | |
| SCHEMBL6294884 | 0.81 | ADRA2A (0.46) | ADRA2ACYP2D6ADRA2BADRA2CADRA1D | |
| SCHEMBL18255794 | 0.77 | ADRA2A (0.42) | ADRA2ACYP2D6ADRA2BADRA2CADRA1D | |
| SCHEMBL6293651 | 0.74 | HTR2A (0.47) | ADRA2ACYP2D6ADRA2BADRA2CADRA1D | |
| SCHEMBL15445337 | 0.74 | DRD2 (0.48) | ADRA2ACYP2D6ADRA2BADRA2CADRA1D | |
| SCHEMBL14945587 | 0.73 | ADRA2A (0.79) | ADRA2ACYP2D6ADRA2BADRA2CADRA1D | |
| SCHEMBL4323033 | 0.72 | DRD1 (0.72) | DRD1DRD5DRD2DRD3DRD4 | |
| SCHEMBL29598312 | 0.72 | DRD1 (0.72) | DRD1DRD5DRD2DRD3DRD4 | |
| SCHEMBL23735928 | 0.71 | DRD2 (0.47) | DRD1DRD5DRD2DRD3DRD4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018090939-A1 | 8,9-DIHYDROIMIDAZOLE[1,2-A]PYRIMIDO[5,4-E]PYRIMIDINE-5(6H)-KETONE COMPOUND | 上海瑛派药业有限公司 | 2018-05-24 | — | — | WO | disclosed |