Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.38 |
| ▸ | TNK2 | Q07912 | 2/20 | 0.37 |
| ▸ | TNK1 | Q13470 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.36 |
| ▸ | SLC27A1 | Q6PCB7 | 1/20 | 0.35 |
| ▸ | DRD4 | P21917 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 3/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.34 |
| ▸ | FTO | Q9C0B1 | 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 | |
|---|---|---|---|---|
| SCHEMBL14837487 | 0.77 | ACHE (0.40) | PARP1ALDH1A1FTO | |
| SCHEMBL14837181 | 0.73 | LDHA (0.42) | PARP1ALDH1A1DRD4L3MBTL1HTR1A | |
| SCHEMBL14837200 | 0.72 | PARP1 (0.43) | PARP1ALDH1A1CYP3A4LMNANPSR1 | |
| SCHEMBL917909 | 0.72 | PARP1 (0.39) | PARP1HTR1ADRD2 | |
| SCHEMBL14836947 | 0.72 | PARP1 (0.39) | PARP1NPSR1 | |
| SCHEMBL14836813 | 0.71 | LMNA (0.43) | PARP1ALDH1A1CYP3A4DRD4LMNA | |
| SCHEMBL918232 | 0.70 | PARP1 (0.35) | PARP1ALDH1A1L3MBTL1FTO | |
| SCHEMBL917974 | 0.70 | CYP2A6 (0.39) | PARP1CYP3A4 | |
| SCHEMBL917709 | 0.69 | KDM4E (0.48) | ALDH1A1LMNAL3MBTL1 | |
| SCHEMBL14837347 | 0.68 | PARP1 (0.39) | PARP1ALDH1A1 |
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-1758864-B1 | Substituted tetrahydro-2H-isoquinolin-1-one derivatives, method for their preparation, and their use as medicaments | SANOFI AVENTIS DEUTSCHLAND (DE) | 2013-04-10 | — | — | EP | disclosed |