Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR7 | P34969 | 2/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 2/20 | 0.41 |
| ▸ | DRD4 | P21917 | 2/20 | 0.41 |
| ▸ | DRD3 | P35462 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7041477 | 0.96 | DRD2 (0.44) | HTR7HTR1ADRD2DRD4DRD3 | |
| SCHEMBL7038533 | 0.87 | PARP1 (0.47) | DRD2ALDH1A1 | |
| SCHEMBL7043751 | 0.85 | DRD2 (0.39) | HTR1ADRD2DRD4DRD3CYP3A4 | |
| SCHEMBL5620566 | 0.85 | PARP1 (0.49) | DRD2DRD4DRD3HIF1A | |
| SCHEMBL7042034 | 0.84 | PRKCQ (0.39) | — | |
| SCHEMBL7039979 | 0.83 | PARP1 (0.50) | DRD2KDM4E | |
| SCHEMBL7043510 | 0.82 | PARP1 (0.55) | DRD2DRD4ALDH1A1KDM4ETDP1 | |
| SCHEMBL7041380 | 0.81 | MEN1 (0.40) | SMN1; SMN2KDM4E | |
| SCHEMBL7044651 | 0.81 | MEN1 (0.40) | SMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL7044886 | 0.81 | THRB (0.41) | DRD2DRD4CYP3A4ALDH1A1KDM4E |
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-1133477-B1 | SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS PARP INHIBITORS | ABBOTT GMBH & CO KG (DE) | 2004-02-18 | — | — | EP | disclosed |