Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.39 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.37 |
| ▸ | SPR | P35270 | 1/20 | 0.36 |
| ▸ | RET | P07949 | 2/20 | 0.35 |
| ▸ | IDH1 | O75874 | 1/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.32 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.32 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.31 |
| ▸ | SRC | P12931 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4096941 | 0.79 | PARP1 (0.40) | PARP1MAPK8GPR119HDAC1SPR | |
| SCHEMBL4101616 | 0.79 | PARP1 (0.40) | PARP1MAPK8GPR119HDAC1SPR | |
| SCHEMBL5986376 | 0.79 | PARP1 (0.42) | PARP1MAPK8GPR119HDAC1SPR | |
| SCHEMBL4098948 | 0.79 | PARP1 (0.40) | PARP1MAPK8GPR119HDAC1SPR | |
| SCHEMBL11963309 | 0.76 | PARP1 (0.51) | PARP1MAPK8GPR119HDAC1SPR | |
| SCHEMBL11963308 | 0.76 | PARP1 (0.51) | PARP1MAPK8GPR119HDAC1SPR | |
| SCHEMBL4084964 | 0.74 | MAPK8 (0.40) | PARP1MAPK8GPR119HDAC1SPR | |
| SCHEMBL6531195 | 0.74 | MAPK8 (0.43) | PARP1MAPK8GPR119HDAC1SPR | |
| SCHEMBL6533541 | 0.74 | MAPK8 (0.43) | PARP1MAPK8GPR119HDAC1HSD11B1 | |
| SCHEMBL4089777 | 0.73 | PLK1 (0.43) | PARP1MAPK8HDAC1 |
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-1727821-A1 | SUBSTITUTED DIAZABICYCLOHEPTANES AND THEIR USE AS PROTEIN KINASE INHIBITORS | Amgen Inc. (US) | 2006-12-06 | — | — | EP | disclosed |
| WO-2005070934-A1 | SUBSTITUTED DIAZABICYCLOHEPTANES AND THEIR USE AS PROTEIN KINASE INHIBITORS | AMGEN INC. (US) | 2005-08-04 | — | — | WO | disclosed |