Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 8/20 | 0.52 |
| ▸ | ADORA1 | P30542 | 6/20 | 0.52 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.52 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.52 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.52 |
| ▸ | HTR2A | P28223 | 1/20 | 0.52 |
| ▸ | HTR2C | P28335 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
| ▸ | TSPO | P30536 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.46 |
| ▸ | PIK3CG | P48736 | 3/20 | 0.42 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6545438 | 0.84 | ADORA3 (0.63) | ADORA3ADORA1ADORA2AADORA2BCHRM5 | |
| SCHEMBL6283239 | 0.84 | ADORA3 (0.69) | ADORA3ADORA1ADORA2AADORA2BCHRM5 | |
| SCHEMBL3891946 | 0.82 | ALDH1A1 (0.53) | ADORA3ADORA1ADORA2AADORA2BCHRM5 | |
| SCHEMBL3896156 | 0.81 | ADORA3 (0.54) | ADORA3ADORA1ADORA2AADORA2BCHRM5 | |
| SCHEMBL3902975 | 0.81 | ADORA3 (0.53) | ADORA3ADORA1ADORA2AADORA2BCHRM5 | |
| SCHEMBL6545803 | 0.78 | ADORA3 (0.67) | ADORA3ADORA1ADORA2AADORA2BCHRM5 | |
| SCHEMBL3887415 | 0.77 | ADORA3 (0.52) | ADORA3ADORA1ADORA2AADORA2BCHRM5 | |
| SCHEMBL6545521 | 0.77 | ALDH1A1 (0.54) | ADORA3ADORA1ADORA2AADORA2BCHRM5 | |
| SCHEMBL3071322 | 0.74 | ADORA3 (0.62) | ADORA3ADORA1ADORA2AADORA2BCHRM5 | |
| SCHEMBL4261794 | 0.74 | MAPK14 (0.67) | ADORA3ADORA1ADORA2AADORA2BCHRM5 |
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-1402900-A1 | MEDICINAL COMPOSITIONS | Takeda Chemical Industries, Ltd. (JP) | 2004-03-31 | — | — | EP | disclosed |