Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 8/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.31 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.31 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HTR6 | P50406 | 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 | |
|---|---|---|---|---|
| SCHEMBL917974 | 0.75 | CYP2A6 (0.39) | PARP1 | |
| SCHEMBL14837279 | 0.75 | L3MBTL1 (0.50) | PARP1 | |
| SCHEMBL27817302 | 0.75 | — | — | |
| SCHEMBL917709 | 0.74 | KDM4E (0.48) | — | |
| SCHEMBL917909 | 0.74 | PARP1 (0.39) | PARP1HTR6 | |
| SCHEMBL27796221 | 0.73 | PARP1 (0.32) | PARP1TP53GAAMAPT | |
| SCHEMBL917641 | 0.73 | PARP1 (0.38) | PARP1OPRM1OPRK1HTR6 | |
| SCHEMBL14836947 | 0.73 | PARP1 (0.39) | PARP1 | |
| SCHEMBL917830 | 0.73 | PARP1 (0.37) | PARP1 | |
| SCHEMBL14837159 | 0.73 | KMT2A (0.41) | GAAMAPTHTR6 |
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 |