Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.47 |
| ▸ | PNMT | P11086 | 1/20 | 0.39 |
| ▸ | AHR | P35869 | 1/20 | 0.35 |
| ▸ | HTR5A | P47898 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14820465 | 0.76 | PARP1 (0.47) | PARP1 | |
| SCHEMBL16621278 | 0.76 | PARP1 (0.47) | PARP1PNMTDYRK2 | |
| SCHEMBL13833540 | 0.76 | PARP1 (0.47) | PARP1HTR5AHTR2CCYP1A2CYP2A6 | |
| SCHEMBL24958125 | 0.74 | AHR (0.42) | PARP1AHR | |
| SCHEMBL31386914 | 0.73 | PARP1 (0.41) | PARP1 | |
| SCHEMBL8980518 | 0.72 | PARP1 (0.43) | PARP1 | |
| SCHEMBL28067215 | 0.72 | PARP1 (0.43) | PARP1PNMTHTR2CHTR2B | |
| SCHEMBL4727743 | 0.72 | PARP1 (0.43) | PARP1PNMTHTR5A | |
| SCHEMBL16154709 | 0.72 | PARP1 (0.43) | PARP1 | |
| SCHEMBL25639017 | 0.72 | PARP1 (0.43) | PARP1HTR2CHTR2BCYP1A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |