Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PSD | A5PKW4 | 3/20 | 0.36 |
| ▸ | PDE4A | P27815 | 2/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.34 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | IDH1 | O75874 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 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 | |
|---|---|---|---|---|
| SCHEMBL23925833 | 0.88 | EGLN1 (0.38) | PSDPDE4APDE4CPDE4DADORA2A | |
| SCHEMBL23950771 | 0.88 | SCD (0.37) | PSDPDE4APDE4CPDE4DADORA2A | |
| SCHEMBL23950299 | 0.88 | PSD (0.37) | PSDADORA2AADORA1CYP3A4CYP2C9 | |
| SCHEMBL23390225 | 0.87 | PSD (0.40) | PSDPDE4APDE4CPDE4DADORA2A | |
| SCHEMBL30101948 | 0.87 | PSD (0.40) | PSDPDE4APDE4CPDE4DADORA2A | |
| SCHEMBL23390221 | 0.87 | PSD (0.40) | PSDPDE4APDE4CPDE4DADORA2A | |
| SCHEMBL23950758 | 0.87 | PSD (0.38) | PSDPDE4APDE4CPDE4DADORA2A | |
| SCHEMBL23950303 | 0.87 | ATR (0.42) | MTORATR | |
| SCHEMBL23950594 | 0.86 | PSD (0.40) | PSDPDE4APDE4CPDE4DADORA2A | |
| SCHEMBL23950756 | 0.84 | PSD (0.41) | PSDPDE4APDE4CPDE4DADORA2A |
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-2021210970-A1 | PYRIDOPYRIMIDINONE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR MODULATORS | DONG-A ST CO., LTD. (KR) | 2021-10-21 | — | — | WO | disclosed |