Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | LDHA | P00338 | 1/20 | 0.40 |
| ▸ | LDHB | P07195 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 5/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | VCP | P55072 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 4/20 | 0.35 |
| ▸ | DRD4 | P21917 | 4/20 | 0.35 |
| ▸ | DRD3 | P35462 | 4/20 | 0.35 |
| ▸ | DPP7 | Q9UHL4 | 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 | |
|---|---|---|---|---|
| SCHEMBL14837201 | 0.84 | PARP1 (0.34) | L3MBTL1PARP1TSHRBRD4KDM4E | |
| SCHEMBL917490 | 0.83 | PARP1 (0.36) | HPGDPARP1BRD4KDM4EALDH1A1 | |
| SCHEMBL917835 | 0.79 | EEF2K (0.39) | HPGDL3MBTL1BRD4KDM4EALDH1A1 | |
| SCHEMBL14837181 | 0.78 | LDHA (0.42) | HPGDLDHALDHBCA1CA2 | |
| SCHEMBL917945 | 0.75 | ALDH1A1 (0.43) | HPGDPARP1KDM4EALDH1A1HSD17B10 | |
| SCHEMBL6372683 | 0.73 | LDHA (0.44) | HPGDLDHALDHBCA1CA2 | |
| SCHEMBL918070 | 0.73 | KDM4E (0.35) | HPGDL3MBTL1PARP1BRD4KDM4E | |
| Hydrochloric Acid SCHEMBL2673379 | 0.72 | LDHA (0.43) | HPGDLDHALDHBCA1CA2 | |
| SCHEMBL14837202 | 0.72 | PARP1 (0.33) | PARP1 | |
| SCHEMBL14836947 | 0.67 | PARP1 (0.39) | PARP1 |
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 |