Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B3 | P37058 | 5/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | DRD2 | P14416 | 3/20 | 0.34 |
| ▸ | DRD3 | P35462 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 2/20 | 0.31 |
| ▸ | HTR2C | P28335 | 2/20 | 0.31 |
| ▸ | HRH1 | P35367 | 2/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19939720 | 0.86 | ALDH1A1 (0.34) | HSD17B3ALDH1A1DRD2DRD3GAA | |
| SCHEMBL19329812 | 0.82 | TRPA1 (0.41) | HSD17B3ALDH1A1DRD2DRD3GAA | |
| SCHEMBL20015243 | 0.79 | DRD2 (0.34) | HSD17B3ALDH1A1DRD2DRD3GAA | |
| SCHEMBL8860333 | 0.79 | HSD17B3 (0.47) | HSD17B3ALDH1A1GAAMAPTHPGD | |
| SCHEMBL29098855 | 0.78 | ALDH1A1 (0.46) | ALDH1A1DRD2DRD3MAPTHPGD | |
| Fluoride SCHEMBL28542369 | 0.76 | ALDH1A1 (0.44) | ALDH1A1DRD2DRD3MAPTHPGD | |
| SCHEMBL6906533 | 0.74 | DRD2 (0.41) | DRD2DRD3HTR2AHTR2CHRH1 | |
| SCHEMBL3772410 | 0.74 | HSD17B3 (0.43) | HSD17B3ALDH1A1DRD2DRD3GAA | |
| SCHEMBL20014966 | 0.74 | NOTUM (0.40) | HSD17B3DRD2DRD3ACHECYP1A2 | |
| SCHEMBL20123621 | 0.73 | HSD17B3 (0.40) | HSD17B3ALDH1A1DRD2DRD3MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2620436-B1 | SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG | SHIONOGI & CO (JP) | 2018-05-09 | — | — | EP | disclosed |