Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LDHA | P00338 | 1/20 | 0.42 |
| ▸ | LDHB | P07195 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | PARP1 | P09874 | 5/20 | 0.37 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 2/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 2/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR7 | P34969 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | FTO | Q9C0B1 | 2/20 | 0.35 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.35 |
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 | 0.89 | PARP1 (0.39) | PARP1 | |
| SCHEMBL14837182 | 0.87 | SIGMAR1 (0.47) | PARP1ALDH1A1 | |
| SCHEMBL14837279 | 0.84 | L3MBTL1 (0.50) | PARP1ALDH1A1PKML3MBTL1 | |
| SCHEMBL917709 | 0.83 | KDM4E (0.48) | KDM4EALDH1A1L3MBTL1 | |
| SCHEMBL918232 | 0.82 | PARP1 (0.35) | PARP1ALDH1A1L3MBTL1FTO | |
| SCHEMBL14837159 | 0.81 | KMT2A (0.41) | KDM4EALDH1A1HTR6PKM | |
| SCHEMBL917909 | 0.81 | PARP1 (0.39) | PARP1DRD2HTR6HTR1AHTR2A | |
| SCHEMBL917641 | 0.80 | PARP1 (0.38) | PARP1DRD2ALDH1A1HTR6HTR1A | |
| SCHEMBL14837432 | 0.79 | PARP1 (0.34) | PARP1HTR6 | |
| SCHEMBL14837487 | 0.79 | ACHE (0.40) | HPGDPARP1DPP7KDM4EALDH1A1 |
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 |