Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 6/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 6/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 2/20 | 0.37 |
| ▸ | CASP1 | P29466 | 2/20 | 0.37 |
| ▸ | CASP7 | P55210 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10560343 | 0.76 | ADORA2A (0.43) | ADORA2AADORA2BADORA1ADORA3ALDH1A1 | |
| SCHEMBL10560783 | 0.68 | ADORA2A (0.43) | ADORA2AADORA2BADORA1ADORA3ALDH1A1 | |
| SCHEMBL10560779 | 0.68 | ADORA2B (0.48) | ADORA2AADORA2BADORA1ADORA3ALDH1A1 | |
| SCHEMBL14927481 | 0.67 | PGR (0.47) | ADORA2AADORA2BADORA1ADORA3ALDH1A1 | |
| SCHEMBL11350483 | 0.64 | ALDH1A1 (0.42) | ALDH1A1CYP1A2CYP3A4HSD17B10TSHR | |
| SCHEMBL29499309 | 0.62 | ADORA2A (0.43) | ADORA2AADORA2BADORA1ADORA3ALDH1A1 | |
| SCHEMBL29499365 | 0.62 | ADORA2A (0.46) | ADORA2AADORA2BADORA1ADORA3ALDH1A1 | |
| SCHEMBL8799962 | 0.61 | TAAR1 (0.50) | ADORA2AADORA2BADORA1ALDH1A1HSD17B10 | |
| SCHEMBL29499403 | 0.60 | ADORA1 (0.46) | ADORA2AADORA2BADORA1ADORA3ALDH1A1 | |
| SCHEMBL29499333 | 0.60 | ADORA1 (0.44) | ADORA2AADORA2BADORA1ADORA3ALDH1A1 |
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-0237289-A2 | Pyrazolo [3,4-d] pyrimidine derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1987-09-16 | — | — | EP | disclosed |