Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.48 |
| ▸ | BRD4 | O60885 | 8/20 | 0.43 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.43 |
| ▸ | FASN | P49327 | 1/20 | 0.43 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.38 |
| ▸ | KRAS | P01116 | 1/20 | 0.38 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.38 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2673855 | 0.78 | KDM4E (0.43) | BRD4CREBBPLRRK2KDM4EALDH1A1 | |
| SCHEMBL917495 | 0.76 | STK10 (0.41) | PARP1BRD4CREBBPKRASDDB1 | |
| SCHEMBL27796217 | 0.75 | CECR2 (0.45) | PARP1BRD4CREBBP | |
| SCHEMBL14837149 | 0.73 | GAA (0.48) | PARP1BRD4CREBBPKDM4EALDH1A1 | |
| SCHEMBL16860055 | 0.72 | BRD4 (0.52) | BRD4CREBBP | |
| SCHEMBL14837406 | 0.70 | PARP1 (0.52) | PARP1BRD4CREBBPKDM4EALDH1A1 | |
| SCHEMBL6409829 | 0.70 | PTGS2 (0.44) | PARP1PTGS2 | |
| SCHEMBL6243674 | 0.69 | KCNH2 (0.50) | NR1H2NR1H3PTGS2 | |
| SCHEMBL3013574 | 0.68 | PTGS2 (0.44) | BRD4CREBBPNR1H2NR1H3PTGS2 | |
| SCHEMBL14837027 | 0.66 | STK10 (0.41) | PARP1BRD4CREBBP |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 | claimed |
| CN-1968929-A | Substituted tetrahydro-2h-isoquinolin-1-one derivatives, method for the production thereof, and use of the same as medicaments | SANOFI AVENTIS DEUTSCHLAND (DE) | 2007-05-23 | — | — | CN | claimed |
| 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 |