Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR119 | Q8TDV5 | 5/20 | 0.47 |
| ▸ | AR | P10275 | 1/20 | 0.44 |
| ▸ | HRH2 | P25021 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 4/20 | 0.37 |
| ▸ | PDK1 | Q15118 | 3/20 | 0.37 |
| ▸ | PDK3 | Q15120 | 3/20 | 0.37 |
| ▸ | PDK4 | Q16654 | 3/20 | 0.37 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.36 |
| ▸ | MC4R | P32245 | 1/20 | 0.36 |
| ▸ | MC5R | P33032 | 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 | |
|---|---|---|---|---|
| SCHEMBL28978028 | 0.86 | MAPK1 (0.43) | GPR119NPC1PARP1UCHL1MC4R | |
| SCHEMBL17560446 | 0.84 | PARP1 (0.41) | GPR119HRH2HRH1NPC1PARP1 | |
| SCHEMBL31470897 | 0.81 | GPR119 (0.46) | GPR119ARPARP1EGLN2 | |
| SCHEMBL8880888 | 0.81 | GPR119 (0.46) | GPR119ARPARP1EGLN2 | |
| SCHEMBL1115469 | 0.79 | LMNA (0.41) | GPR119HRH2HRH1NPC1PARP1 | |
| SCHEMBL30740797 | 0.76 | PARP1 (0.38) | HRH2HRH1NPC1PARP1UCHL1 | |
| SCHEMBL2480835 | 0.75 | HSD17B10 (0.47) | NPC1PARP1MC4RMC5R | |
| SCHEMBL18673224 | 0.75 | PARP1 (0.44) | NPC1PARP1MC4RMC5R | |
| SCHEMBL2480988 | 0.75 | HSD17B10 (0.47) | NPC1PARP1MC4RMC5R | |
| SCHEMBL1685922 | 0.75 | HSD17B10 (0.47) | NPC1PARP1MC4RMC5R |
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 |
|---|---|---|---|---|---|---|---|
| CN-105722835-B | 3- aryl -5- substitution-isoquinoline-1-ketone compound and their therapy application | 癌症研究协会:皇家癌症医院 | 2018-07-31 | — | — | CN | disclosed |
| CN-105722835-A | 3-aryl-5-substituted-isoquinolin-1-one compounds and their therapeutic use | 癌症研究协会:皇家癌症医院 | 2016-06-29 | — | — | CN | disclosed |