Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 2/20 | 0.42 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.41 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 2/20 | 0.36 |
| ▸ | DRD3 | P35462 | 2/20 | 0.36 |
| ▸ | NAMPT | P43490 | 3/20 | 0.35 |
| ▸ | UBE2M | P61081 | 1/20 | 0.34 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.34 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.33 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.33 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.33 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.33 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10360436 | 0.82 | HRH1 (0.42) | ADORA2ADPP8DPP9NAMPTGRIN2D | |
| SCHEMBL19018977 | 0.79 | MEN1 (0.47) | KDM4ELMNAMAPTSMN1; SMN2NPSR1 | |
| SCHEMBL21564328 | 0.77 | DPP8 (0.45) | ADORA2ADPP8DPP9DRD2DRD3 | |
| SCHEMBL20651754 | 0.75 | DPP8 (0.51) | ADORA2ADPP8DPP9NAMPT | |
| SCHEMBL11923137 | 0.73 | PNMT (0.43) | DPP8DPP9DRD2DRD3GRIN2D | |
| SCHEMBL23870000 | 0.73 | NOS2 (0.42) | — | |
| SCHEMBL24635853 | 0.72 | DPP8 (0.36) | DPP8DPP9DRD2DRD3KCNQ2 | |
| SCHEMBL11327874 | 0.72 | DPP8 (0.37) | ADORA2ADPP8DPP9NAMPTLMNA | |
| SCHEMBL8475722 | 0.71 | MAOA (0.57) | DRD2DRD3GRIN2DGRIN3BGRIN1 | |
| SCHEMBL29391241 | 0.71 | MAOA (0.57) | DRD2DRD3GRIN2DGRIN3BGRIN1 |
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-3038466-B1 | 2,2-DIFLUORODIOXOLO A2A RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2018-05-23 | — | — | EP | disclosed |