Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 12/20 | 0.50 |
| ▸ | DRD3 | P35462 | 8/20 | 0.49 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.49 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.47 |
| ▸ | SUV39H2 | Q9H5I1 | 2/20 | 0.45 |
| ▸ | DRD4 | P21917 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL24719091 | 1.00 | DRD2 (0.50) | DRD2DRD3NOTUMMAP4K4SUV39H2 | |
| SCHEMBL29799403 | 1.00 | DRD2 (0.50) | DRD2DRD3NOTUMMAP4K4SUV39H2 | |
| SCHEMBL1900872 | 0.82 | SUV39H2 (0.48) | NOTUMMAP4K4SUV39H2HDAC1GPR119 | |
| SCHEMBL1900868 | 0.82 | SUV39H2 (0.48) | NOTUMMAP4K4SUV39H2HDAC1GPR119 | |
| SCHEMBL1904867 | 0.82 | SUV39H2 (0.48) | NOTUMMAP4K4SUV39H2HDAC1GPR119 | |
| SCHEMBL13999776 | 0.82 | HDAC1 (0.49) | MAP4K4HDAC1GPR119 | |
| SCHEMBL28520979 | 0.81 | MAP4K4 (0.49) | MAP4K4SUV39H2HDAC1GPR119 | |
| SCHEMBL13384125 | 0.81 | HDAC1 (0.54) | MAP4K4SUV39H2HDAC1GPR119 | |
| SCHEMBL246696 | 0.81 | DRD2 (0.56) | DRD2DRD3 | |
| SCHEMBL20884865 | 0.81 | MAP4K4 (0.51) | MAP4K4SUV39H2HDAC1GPR119 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112778183-B | Nitrogen-containing ring derivative regulator, preparation method and application thereof | 江苏豪森药业集团有限公司 | 2024-05-10 | — | — | CN | disclosed |
| CN-113166135-A | Benzothiophene derivative modulators, methods of making, and uses thereof | 上海翰森生物医药科技有限公司 | 2021-07-23 | — | — | CN | disclosed |
| CN-112778183-A | Nitrogen-containing ring derivative regulator, preparation method and application thereof | 江苏豪森药业集团有限公司 | 2021-05-11 | — | — | CN | disclosed |