Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 9/20 | 0.39 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14837181 | 0.89 | LDHA (0.42) | PARP1 | |
| SCHEMBL14837182 | 0.88 | SIGMAR1 (0.47) | PARP1CYP2A6HTTNPSR1SIGMAR1 | |
| SCHEMBL14837347 | 0.83 | PARP1 (0.39) | PARP1SMN1; SMN2KMT2A | |
| SCHEMBL918232 | 0.83 | PARP1 (0.35) | PARP1CYP2A6SMN1; SMN2KMT2A | |
| SCHEMBL14837279 | 0.82 | L3MBTL1 (0.50) | PARP1KMT2A | |
| SCHEMBL917909 | 0.79 | PARP1 (0.39) | PARP1HTT | |
| SCHEMBL917641 | 0.78 | PARP1 (0.38) | PARP1HTT | |
| SCHEMBL14837159 | 0.78 | KMT2A (0.41) | HTTSMN1; SMN2KMT2A | |
| SCHEMBL14837487 | 0.77 | ACHE (0.40) | PARP1KMT2A | |
| SCHEMBL917974 | 0.76 | CYP2A6 (0.39) | PARP1CYP2A6 |
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 2 patents. 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 |
| CN-1968929-B | Substituted tetrahydro-2h-isoquinolin-1-one derivatives, method for the production thereof, and use of the same as medicaments | SANOFI AVENTIS DEUTSCHLAND | 2010-09-08 | — | — | CN | disclosed |