Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PSD | A5PKW4 | 3/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.41 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.41 |
| ▸ | F2RL3 | Q96RI0 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.39 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL23950531 | 0.87 | PIM1 (0.41) | PSDCYP2C9CYP2C19CYP2E1CYP2A6 | |
| SCHEMBL26286053 | 0.86 | CYP2A6 (0.41) | CYP2C9CYP2C19CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL26276186 | 0.85 | CYP2A6 (0.43) | CYP2C9CYP2C19CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL23390505 | 0.85 | AHR (0.45) | NPY5R | |
| SCHEMBL26287834 | 0.85 | ADORA2A (0.39) | PSDCYP2C9CYP2C19CYP19A1ADORA2A | |
| SCHEMBL23950289 | 0.85 | ADORA1 (0.40) | PSDCYP2C9CYP2C19CYP2E1CYP2A6 | |
| SCHEMBL23925606 | 0.85 | PSD (0.40) | PSDCYP2C9CYP2C19CYP2E1CYP2A6 | |
| SCHEMBL23925514 | 0.83 | USP5 (0.42) | PSDCYP2C9CYP2C19CYP19A1ADORA2A | |
| SCHEMBL23390221 | 0.83 | PSD (0.40) | PSDCYP2C9CYP2C19CYP2E1CYP2A6 | |
| SCHEMBL23416773 | 0.83 | CYP3A4 (0.39) | PSDCYP2C9CYP2C19CYP2E1CYP2A6 |
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 |