Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 9/20 | 0.52 |
| ▸ | MAOA | P21397 | 6/20 | 0.49 |
| ▸ | TSHR | P16473 | 4/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.49 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.49 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.49 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.49 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.49 |
| ▸ | SNCA | P37840 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL17689242 | 1.00 | MAOB (0.52) | MAOBMAOATSHRCYP1A2CYP2D6 | |
| SCHEMBL17689240 | 0.85 | MAOB (0.73) | MAOBMAOATSHRCYP1A2CYP2D6 | |
| SCHEMBL17689238 | 0.85 | MAOB (0.73) | MAOBMAOATSHRCYP1A2CYP2D6 | |
| SCHEMBL17689246 | 0.85 | MAOB (0.73) | MAOBMAOATSHRCYP1A2CYP2D6 | |
| SCHEMBL2127310 | 0.84 | MAOB (0.72) | MAOBMAOATSHRCYP1A2CYP2D6 | |
| SCHEMBL693555 | 0.84 | MAOB (0.72) | MAOBMAOATSHRCYP1A2CYP2D6 | |
| SCHEMBL694164 | 0.84 | MAOB (0.72) | MAOBMAOATSHRCYP1A2CYP2D6 | |
| Selegiline SCHEMBL15867127 | 0.80 | MAOB (0.71) | MAOBMAOATSHRCYP1A2CYP2D6 | |
| Selegiline SCHEMBL7728634 | 0.80 | MAOB (0.71) | MAOBMAOATSHRCYP1A2CYP2D6 | |
| Selegiline SCHEMBL7731437 | 0.78 | MAOB (0.55) | MAOBMAOATSHRCYP1A2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-9314540-B2 | Compounds for use in imaging, diagnosing and/or treatment of diseases of the central nervous system | PIRAMAL IMAGING SA (CH) | 2016-04-19 | — | — | US | disclosed |