Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.42 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.40 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.38 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
| ▸ | BCR | P11274 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | CASP7 | P55210 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL21481606 | 0.87 | ADORA2A (0.52) | KDM4ECYP3A4CYP2D6ADORA2AADORA1 | |
| SCHEMBL31385338 | 0.87 | ADORA2A (0.52) | KDM4ECYP3A4CYP2D6ADORA2AADORA1 | |
| SCHEMBL21481675 | 0.82 | PDE8A (0.46) | CYP3A4CYP2D6HSP90AA1TRAP1ADORA2A | |
| SCHEMBL21462235 | 0.81 | CYP3A4 (0.64) | KDM4ECYP3A4CYP2D6HSP90AA1TRAP1 | |
| SCHEMBL21465891 | 0.80 | PDE8A (0.44) | CYP3A4CYP2D6NR3C1HSP90AA1TRAP1 | |
| SCHEMBL21482055 | 0.79 | NR3C1 (0.46) | CYP3A4CYP2D6NR3C1ADORA2AADORA1 | |
| SCHEMBL21481671 | 0.78 | CYP3A4 (0.50) | KDM4ECYP3A4CYP2D6NR3C1HSP90AA1 | |
| SCHEMBL31337397 | 0.77 | CYP3A4 (0.46) | CYP3A4CYP2D6HSP90AA1TRAP1ADORA2A | |
| SCHEMBL21485535 | 0.76 | CYP3A4 (0.66) | CYP3A4CYP2D6HSP90AA1TRAP1ADORA2A | |
| SCHEMBL21481605 | 0.76 | TLR7 (0.53) | KDM4ECYP3A4CYP2D6ADORA2AADORA1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019196918-A1 | FIVE-MEMBERED HETEROCYCLO-PYRIMIDINE COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF | 罗欣药业(上海)有限公司 | 2019-10-17 | — | — | WO | disclosed |