Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 2/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 3/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 5/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.32 |
| ▸ | ADCY10 | Q96PN6 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29152582 | 0.83 | DRD4 (0.41) | ALOX15KEAP1SMN1; SMN2DRD4DRD3 | |
| SCHEMBL9801751 | 0.81 | DRD3 (0.39) | ALOX15KEAP1SMN1; SMN2DRD4HRH3 | |
| SCHEMBL24951149 | 0.81 | DRD3 (0.39) | ALOX15KEAP1SMN1; SMN2DRD4HRH3 | |
| SCHEMBL3424587 | 0.81 | PDK1 (0.46) | PDK1ADORA2AADORA1DRD4HRH3 | |
| SCHEMBL23328919 | 0.81 | DRD3 (0.49) | PDK1DRD3 | |
| SCHEMBL3428332 | 0.81 | PDK1 (0.46) | PDK1ADORA2AADORA1DRD4HRH3 | |
| SCHEMBL3424584 | 0.79 | PDK1 (0.44) | PDK1ADORA2AADORA1DRD4HRH3 | |
| SCHEMBL22879240 | 0.79 | PDK1 (0.44) | PDK1DRD4HRH3DRD3LRRK2 | |
| SCHEMBL3428329 | 0.79 | PDK1 (0.44) | PDK1ADORA2AADORA1DRD4HRH3 | |
| SCHEMBL6695515 | 0.78 | KDM4E (0.42) | PDK1DRD4DRD3DRD2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116396244-A | Nitrogen-containing heterocyclic cationic lipid and application thereof | 厦门赛诺邦格生物科技股份有限公司 | 2023-07-07 | — | — | CN | disclosed |