Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 1/20 | 0.49 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | REN | P00797 | 11/20 | 0.41 |
| ▸ | CTSD | P07339 | 2/20 | 0.41 |
| ▸ | CTSE | P14091 | 2/20 | 0.41 |
| ▸ | PGC | P20142 | 2/20 | 0.41 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MC4R | P32245 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28211189 | 0.76 | PRKCA (0.33) | NPC1 | |
| SCHEMBL27503612 | 0.74 | GBA1 (0.40) | GBA1HTR2CRENSSTR4 | |
| SCHEMBL28261265 | 0.73 | IRAK4 (0.37) | GBA1NPC1 | |
| Tert-Butyl Formate SCHEMBL27759654 | 0.73 | GBA1 (0.47) | GBA1HTR2CRENCTSDCTSE | |
| SCHEMBL19730179 | 0.72 | NPC1 (0.41) | HTR2CNPC1 | |
| SCHEMBL19714859 | 0.72 | CNR2 (0.42) | HTR2CNPC1 | |
| SCHEMBL8222697 | 0.72 | GBA1 (0.64) | GBA1RENCTSDCTSEPGC | |
| SCHEMBL3911908 | 0.72 | GBA1 (0.55) | GBA1RENCTSDCTSEPGC | |
| SCHEMBL23951472 | 0.71 | MC4R (0.51) | GBA1HTR2CMC4R | |
| SCHEMBL8225329 | 0.71 | GBA1 (0.58) | GBA1RENCTSDCTSEPGC |
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-101420959-A | Use of 2- (purin-9-yl) -tetrahydrofuran-3, 4-diol derivatives as adenosine A2A receptor agonists | NOVARTIS AG (CH) | 2009-04-29 | — | — | CN | disclosed |