Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 1/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | PPARD | Q03181 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | CASP7 | P55210 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.32 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | NR3C1 | P04150 | 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 | |
|---|---|---|---|---|
| SCHEMBL25595351 | 0.84 | HRH1 (0.32) | HCRTR1HCRTR2HRH1DRD3PPARD | |
| SCHEMBL25599267 | 0.83 | SMN1; SMN2 (0.33) | HCRTR1HCRTR2HRH1DRD3KDM4E | |
| SCHEMBL25596501 | 0.83 | DRD3 (0.34) | HCRTR1HCRTR2HRH1DRD3PPARD | |
| SCHEMBL25602212 | 0.81 | HRH1 (0.40) | HRH1DRD3PPARDALDH1A1 | |
| SCHEMBL25823783 | 0.78 | ALDH1A1 (0.32) | ALDH1A1LMNACYP2A6CYP2A13TSHR | |
| SCHEMBL25600414 | 0.71 | HRH1 (0.33) | HRH1DRD3PPARD | |
| SCHEMBL25600415 | 0.71 | LNPEP (0.35) | HRH1DRD3 | |
| SCHEMBL25597203 | 0.71 | DRD3 (0.49) | HRH1DRD3ALDH1A1LMNATSHR | |
| SCHEMBL25593002 | 0.70 | PNMT (0.47) | HRH1DRD3 | |
| SCHEMBL25592128 | 0.69 | DRD3 (0.43) | HRH1DRD3ALDH1A1KDM4ELMNA |
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-2023125944-A1 | COMPOUND CONTAINING HETEROCYCLIC RING | 正大天晴药业集团股份有限公司 | 2023-07-06 | — | — | WO | disclosed |