Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 3/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | CCR4 | P51679 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 3/20 | 0.39 |
| ▸ | HTR1A | P08908 | 2/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | WHR1 | P49842 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.38 |
| ▸ | HTR3B | O95264 | 1/20 | 0.38 |
| ▸ | HTR3A | P46098 | 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 | |
|---|---|---|---|---|
| SCHEMBL20180619 | 0.85 | DRD2 (0.42) | DRD2DRD3MAOBCCR4MAPT | |
| SCHEMBL21590174 | 0.84 | GAA (0.46) | DRD2DRD3CCR4MAPTHTR6 | |
| SCHEMBL21590228 | 0.84 | MAPT (0.44) | DRD2DRD3CCR4MAPTHTR6 | |
| SCHEMBL8275459 | 0.84 | MAPT (0.46) | MAPTL3MBTL1ALDH1A1SMN1; SMN2HTR3E | |
| SCHEMBL14922246 | 0.82 | ADRB1 (0.45) | DRD2DRD3MAPTHTR6HTR1A | |
| SCHEMBL24123635 | 0.81 | ALDH1A1 (0.43) | DRD2DRD3MAOBCCR4MAPT | |
| SCHEMBL21590162 | 0.78 | MAPT (0.51) | MAPTHTR6HTR1AL3MBTL1SIRT6 | |
| SCHEMBL14922715 | 0.77 | CCR4 (0.46) | DRD2DRD3CCR4MAPTL3MBTL1 | |
| SCHEMBL9523246 | 0.77 | DRD3 (0.56) | DRD2DRD3HTR6HTR1AHTR2A | |
| SCHEMBL28502430 | 0.75 | CCR4 (0.36) | DRD2DRD3CCR4MAPTHTR6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE44205-E1 | Adenosine A2a receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2013-05-07 | — | — | US | disclosed |
| US-RE44205-E1 | Adenosine A2a receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2013-05-07 | — | — | US | disclosed |