Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 4/20 | 0.41 |
| ▸ | DRD1 | P21728 | 3/20 | 0.41 |
| ▸ | DRD5 | P21918 | 3/20 | 0.41 |
| ▸ | DRD3 | P35462 | 3/20 | 0.41 |
| ▸ | MAOA | P21397 | 2/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | DRD4 | P21917 | 2/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | KMO | O15229 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2625804 | 0.78 | ALOX12 (0.50) | DRD2DRD1DRD5DRD3MAOA | |
| SCHEMBL10204221 | 0.77 | KMO (0.40) | DRD2DRD1DRD5DRD3MAOA | |
| SCHEMBL26630745 | 0.76 | HTR2C (0.37) | DRD2DRD1DRD5DRD3MAOA | |
| SCHEMBL2625796 | 0.76 | NOTUM (0.57) | DRD2DRD1DRD5DRD3MAOA | |
| SCHEMBL21288160 | 0.76 | MAOA (0.41) | DRD2DRD1DRD5DRD3MAOA | |
| SCHEMBL23346676 | 0.76 | DRD2 (0.41) | DRD2DRD1DRD5DRD3MAOA | |
| SCHEMBL2625787 | 0.76 | MAOA (0.41) | DRD2DRD1DRD5DRD3MAOA | |
| SCHEMBL18329546 | 0.76 | MAOA (0.41) | DRD2DRD1DRD5DRD3MAOA | |
| SCHEMBL16719576 | 0.76 | ALDH1A1 (0.39) | DRD2DRD1DRD5DRD3MAOA | |
| SCHEMBL21725629 | 0.76 | AADAT (0.40) | DRD2DRD1DRD5DRD3MAOA |
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-2021057975-A1 | MUTANT IDH2 INHIBITOR AND APPLICATION THEREOF | 贝达药业股份有限公司 | 2021-04-01 | — | — | WO | disclosed |