Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 12/20 | 0.68 |
| ▸ | DRD2 | P14416 | 4/20 | 0.41 |
| ▸ | DRD4 | P21917 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HTR1D | P28221 | 2/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL532112 | 0.85 | PARP1 (0.59) | PARP1DRD2DRD4HTR1DDRD3 | |
| SCHEMBL532378 | 0.82 | PARP1 (1.00) | PARP1DRD2DRD4DRD3 | |
| SCHEMBL531811 | 0.82 | PARP1 (1.00) | PARP1DRD2DRD4DRD3 | |
| SCHEMBL531810 | 0.82 | PARP1 (1.00) | PARP1DRD2DRD4DRD3 | |
| SCHEMBL532230 | 0.78 | PARP1 (0.75) | PARP1DRD2DRD4KDM4EDRD3 | |
| SCHEMBL531854 | 0.77 | PARP1 (0.69) | PARP1 | |
| SCHEMBL533243 | 0.76 | PARP1 (0.80) | PARP1DRD2DRD4KDM4EDRD3 | |
| SCHEMBL532268 | 0.76 | PARP1 (0.79) | PARP1DRD2DRD4KDM4EDRD3 | |
| SCHEMBL532095 | 0.75 | PARP1 (0.83) | PARP1DRD2DRD4KDM4EDRD3 | |
| SCHEMBL531594 | 0.75 | PARP1 (0.72) | PARP1DRD2DRD4DRD3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2415767-A1 | Poly (ADP-ribose) Polymerase (PARP) Inhibitors | Takeda Pharmaceutical Company Limited (JP) | 2012-02-08 | — | — | EP | disclosed |