Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.50 |
| ▸ | DRD4 | P21917 | 3/20 | 0.40 |
| ▸ | DRD3 | P35462 | 3/20 | 0.40 |
| ▸ | BRD4 | O60885 | 2/20 | 0.39 |
| ▸ | DRD2 | P14416 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | PRNP | P04156 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | PAK4 | O96013 | 1/20 | 0.36 |
| ▸ | ABL1 | P00519 | 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 | |
|---|---|---|---|---|
| SCHEMBL9404078 | 0.81 | PARP1 (0.46) | PARP1DRD4DRD3BRD4DRD2 | |
| SCHEMBL24773413 | 0.78 | PARP1 (0.44) | PARP1DRD4DRD3BRD4MEN1 | |
| SCHEMBL1261706 | 0.74 | PARP1 (0.55) | PARP1DRD4DRD3BRD4DRD2 | |
| SCHEMBL3151930 | 0.73 | PARP1 (0.50) | PARP1DRD4DRD3BRD4DRD2 | |
| SCHEMBL20878376 | 0.73 | BRD4 (0.56) | PARP1DRD4DRD3BRD4DRD2 | |
| SCHEMBL28086435 | 0.72 | PARP1 (0.49) | PARP1DRD4DRD3BRD4DRD2 | |
| SCHEMBL13456004 | 0.72 | KDM4E (0.45) | PARP1ALDH1A1MAPTHTTSMN1; SMN2 | |
| SCHEMBL3171067 | 0.71 | PARP1 (0.52) | PARP1DRD4DRD3BRD4DRD2 | |
| SCHEMBL22182747 | 0.71 | PARP1 (0.51) | PARP1DRD4DRD3BRD4DRD2 | |
| SCHEMBL312427 | 0.69 | PARP1 (0.56) | PARP1DRD4DRD3BRD4DRD2 |
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-2691375-B1 | SUBSTITUTED BENZIMIDAZOLES AS MPS-1 KINASE INHIBITORS | BAYER IP GMBH (DE) | 2016-03-16 | — | — | EP | disclosed |