Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 16/20 | 0.71 |
| ▸ | MAOA | P21397 | 13/20 | 0.71 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.71 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.71 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.71 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.71 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.71 |
| ▸ | SNCA | P37840 | 1/20 | 0.71 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.71 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.71 |
| ▸ | PKM | P14618 | 1/20 | 0.71 |
| ▸ | TSHR | P16473 | 1/20 | 0.71 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.69 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.69 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL10076445 | 0.85 | MAOB (0.73) | MAOBMAOACYP1A2ADRA2AADRA2B | |
| SCHEMBL10076400 | 0.85 | MAOB (0.73) | MAOBMAOACYP1A2ADRA2AADRA2B | |
| SCHEMBL10076418 | 0.83 | MAOB (0.71) | MAOBMAOACYP1A2ADRA2AADRA2B | |
| SCHEMBL10076415 | 0.83 | MAOB (0.71) | MAOBMAOACYP1A2ADRA2AADRA2B | |
| SCHEMBL2616092 | 0.83 | MAOB (1.00) | MAOBMAOACYP1A2ADRA2AADRA2B | |
| SCHEMBL2615296 | 0.83 | MAOB (1.00) | MAOBMAOACYP1A2ADRA2AADRA2B | |
| SCHEMBL4549815 | 0.83 | MAOB (1.00) | MAOBMAOACYP1A2ADRA2AADRA2B | |
| Selegiline SCHEMBL15867136 | 0.83 | MAOB (1.00) | MAOBMAOACYP1A2ADRA2AADRA2B | |
| Selegiline SCHEMBL74753 | 0.83 | MAOB (1.00) | MAOBMAOACYP1A2ADRA2AADRA2B | |
| Selegiline SCHEMBL5499736 | 0.83 | MAOB (1.00) | MAOBMAOACYP1A2ADRA2AADRA2B |
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 |
|---|---|---|---|---|---|---|---|
| EP-2217549-B1 | COMPOUNDS FOR USE IN IMAGING, DIAGNOSING, AND/OR TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM OR OF TUMORS | PIRAMAL IMAGING SA (CH) | 2017-04-19 | — | — | EP | disclosed |