Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 3/20 | 0.39 |
| ▸ | DRD3 | P35462 | 2/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.39 |
| ▸ | HRH1 | P35367 | 2/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | ABCC1 | P33527 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 2/20 | 0.38 |
| ▸ | SMYD2 | Q9NRG4 | 2/20 | 0.37 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7044886 | 0.96 | THRB (0.41) | DRD2HTR2ASIGMAR1THRBABCC1 | |
| SCHEMBL7038533 | 0.88 | PARP1 (0.47) | DRD2NPSR1PARP1 | |
| SCHEMBL5619701 | 0.86 | PARP1 (0.51) | DRD2ABCC1CYP3A4DRD4GRM2 | |
| SCHEMBL7040971 | 0.85 | HTR7 (0.42) | DRD2DRD3HTR1ACYP3A4DRD4 | |
| SCHEMBL7039979 | 0.84 | PARP1 (0.50) | DRD2SIGMAR1KDM4EMEN1GAA | |
| SCHEMBL7042531 | 0.83 | PARP1 (0.56) | DRD2DRD3HTR2AHRH1CYP3A4 | |
| SCHEMBL5621817 | 0.82 | PARP1 (0.54) | DRD2HTR2ASIGMAR1ABCC1CYP3A4 | |
| SCHEMBL6864807 | 0.81 | PARP1 (0.40) | DRD2DRD3HTR2AHRH1SIGMAR1 | |
| SCHEMBL7038527 | 0.81 | PARP1 (0.52) | DRD3HRH1DRD4MEN1KMT2A | |
| SCHEMBL7041477 | 0.81 | DRD2 (0.44) | DRD2DRD3HTR1ADRD4KDM4E |
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 |