Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.46 |
| ▸ | PARP1 | P09874 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14836947 | 0.88 | PARP1 (0.39) | SIGMAR1CYP2A6PARP1NPSR1KMT2A | |
| SCHEMBL14837181 | 0.87 | LDHA (0.42) | PARP1ALDH1A1 | |
| SCHEMBL14836896 | 0.82 | PARP1 (0.48) | PARP1ALDH1A1MEN1KMT2ATHRB | |
| SCHEMBL918232 | 0.81 | PARP1 (0.35) | CYP2A6PARP1ALDH1A1GAAMEN1 | |
| SCHEMBL14837279 | 0.81 | L3MBTL1 (0.50) | PARP1ALDH1A1MEN1KMT2A | |
| SCHEMBL14837347 | 0.77 | PARP1 (0.39) | PARP1ALDH1A1MEN1KMT2A | |
| SCHEMBL14837159 | 0.77 | KMT2A (0.41) | ALDH1A1GAAMEN1KMT2AHSD17B10 | |
| SCHEMBL917909 | 0.76 | PARP1 (0.39) | PARP1HTT | |
| SCHEMBL917641 | 0.75 | PARP1 (0.38) | PARP1ALDH1A1HTT | |
| SCHEMBL14837487 | 0.74 | ACHE (0.40) | PARP1ALDH1A1MEN1KMT2A |
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 |