Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.36 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.36 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.36 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.35 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.35 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.35 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.35 |
| ▸ | ATR | Q13535 | 1/20 | 0.34 |
| ▸ | DHPS | P49366 | 1/20 | 0.34 |
| ▸ | EGLN1 | Q9GZT9 | 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 | |
|---|---|---|---|---|
| SCHEMBL23390216 | 0.90 | KDM5B (0.37) | KDM5BADORA2AADORA1TBXAS1CYP2A6 | |
| SCHEMBL23390213 | 0.90 | KDM5B (0.37) | KDM5BADORA2AADORA1TBXAS1CYP2A6 | |
| SCHEMBL23950758 | 0.88 | PSD (0.38) | KDM5BADORA2AADORA1CYP2A6CYP2E1 | |
| SCHEMBL23925644 | 0.85 | EGLN1 (0.41) | ADORA2AADORA1DYRK1ADHPSEGLN1 | |
| SCHEMBL26276200 | 0.83 | KDM5B (0.37) | KDM5BADORA2AADORA1TBXAS1CYP2A6 | |
| SCHEMBL26276204 | 0.83 | KDM5B (0.37) | KDM5BADORA2AADORA1TBXAS1CYP2A6 | |
| SCHEMBL23950999 | 0.82 | PIM1 (0.37) | KDM5BADORA2AADORA1EGLN1PIM1 | |
| SCHEMBL26276186 | 0.81 | CYP2A6 (0.43) | KDM5BADORA2AADORA1TBXAS1CYP2A6 | |
| SCHEMBL25406060 | 0.80 | DHPS (0.40) | KDM5BADORA2AADORA1TBXAS1CYP2A6 | |
| SCHEMBL25405647 | 0.80 | DHPS (0.40) | KDM5BADORA2AADORA1TBXAS1CYP2A6 |
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 |