Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NT5E | P21589 | 2/20 | 0.38 |
| ▸ | PNP | P00491 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CDK1 | P06493 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.31 |
| ▸ | PDE2A | O00408 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL24328469 | 0.88 | HSP90AA1 (0.35) | PNPADORA3ADORA2AADORA1MAPT | |
| SCHEMBL29661419 | 0.88 | HSP90AA1 (0.35) | PNPADORA3ADORA2AADORA1MAPT | |
| SCHEMBL30041757 | 0.87 | PNP (0.38) | PNPCYP3A4CYP2D6ADORA2AADORA1 | |
| SCHEMBL25875898 | 0.86 | MAPT (0.33) | PNPMAPTPDE2ADGAT1 | |
| SCHEMBL21303003 | 0.84 | MAPT (0.32) | PNPMAPTHSP90AA1TRAP1PDE2A | |
| SCHEMBL26720567 | 0.78 | HSP90AA1 (0.36) | PNPMAPTHSP90AA1TRAP1NPC1 | |
| SCHEMBL20262422 | 0.77 | DGAT1 (0.33) | MAPTDGAT1 | |
| SCHEMBL21462203 | 0.77 | NPC1 (0.37) | NT5EMAPTCDK1NPC1 | |
| SCHEMBL13737735 | 0.77 | DGAT1 (0.34) | NT5EMAPTCDK1HSP90AA1NPC1 | |
| SCHEMBL21462293 | 0.76 | CYP3A4 (0.39) | PNPCYP3A4CYP2D6 |
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 |