Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.51 |
| ▸ | DRD3 | P35462 | 1/20 | 0.51 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | KDM1A | O60341 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | HTR3A | P46098 | 1/20 | 0.44 |
| ▸ | JAK3 | P52333 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28298515 | 0.91 | SLC18A3 (0.62) | SLC18A3SIGMAR1HTR3AJAK3 | |
| SCHEMBL28298504 | 0.91 | SLC18A3 (0.62) | SLC18A3SIGMAR1HTR3AJAK3 | |
| SCHEMBL28296851 | 0.91 | SLC18A3 (0.62) | SLC18A3SIGMAR1HTR3AJAK3 | |
| SCHEMBL381572 | 0.91 | SLC18A3 (0.59) | DRD2DRD3SLC18A3SIGMAR1KCNH2 | |
| Benzene SCHEMBL28198364 | 0.91 | SLC18A3 (0.59) | DRD2DRD3SLC18A3SIGMAR1KCNH2 | |
| SCHEMBL4280 | 0.91 | SLC18A3 (0.59) | DRD2DRD3SLC18A3SIGMAR1KCNH2 | |
| SCHEMBL383031 | 0.91 | SLC18A3 (0.59) | DRD2DRD3SLC18A3SIGMAR1KCNH2 | |
| Hydrochloric Acid SCHEMBL1765272 | 0.89 | DRD2 (0.57) | DRD2DRD3SLC18A3SIGMAR1KCNH2 | |
| Hydrochloric Acid SCHEMBL31233227 | 0.89 | DRD2 (0.57) | DRD2DRD3SLC18A3SIGMAR1KCNH2 | |
| SCHEMBL3701789 | 0.85 | SLC18A3 (0.57) | DRD2DRD3SLC18A3SIGMAR1KCNH2 |
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-109715155-A | blood brain barrier-penetrating agent dopamine- β -hydroxylase inhibitors | 巴尔-波特拉及康邦亚股份有限公司 | 2019-05-03 | — | — | CN | disclosed |