Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 10/20 | 0.75 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.46 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.45 |
| ▸ | HTR1A | P08908 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | HTR7 | P34969 | 1/20 | 0.45 |
| ▸ | HRH1 | P35367 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 1/20 | 0.45 |
| ▸ | HTR2B | P41595 | 1/20 | 0.45 |
| ▸ | APAF1 | O14727 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8362890 | 0.90 | PARP1 (0.76) | PARP1ALDH1A1 | |
| SCHEMBL8359236 | 0.86 | PARP1 (1.00) | PARP1BAZ2BALDH1A1GAA | |
| SCHEMBL8359252 | 0.86 | SIGMAR1 (0.56) | PARP1HTR1ADRD2HTR2AHTR7 | |
| SCHEMBL14444052 | 0.82 | PARP1 (0.76) | PARP1CYP1A2CYP3A4CYP2C19BAZ2B | |
| SCHEMBL8359419 | 0.81 | PARP1 (0.74) | PARP1BAZ2BALDH1A1GAA | |
| SCHEMBL8359238 | 0.80 | PARP1 (1.00) | PARP1BAZ2BALDH1A1GAA | |
| SCHEMBL8363079 | 0.80 | PARP1 (0.74) | PARP1ALDH1A1GAA | |
| SCHEMBL8359241 | 0.79 | PARP1 (0.71) | PARP1CYP1A2CYP3A4CYP2C19BAZ2B | |
| SCHEMBL8362899 | 0.78 | PARP1 (0.84) | PARP1BAZ2BALDH1A1GAA | |
| SCHEMBL8359249 | 0.78 | PARP1 (0.66) | PARP1CYP1A2CYP3A4CYP2C19BAZ2B |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7247641-B2 | Compounds, derivatives, compositions, preparation and uses | MGI GP, INC. (US) | 2007-07-24 | — | — | US | disclosed |
| US-7247641-B2 | Compounds, derivatives, compositions, preparation and uses | MGI GP, INC. (US) | 2007-07-24 | — | — | US | disclosed |
| WO-2003014121-A9 | COMPOUNDS, DERIVATIVES, COMPOSITIONS, PREPARATION AND USES | GUILFORD PHARM INC (US) | 2004-03-25 | — | — | WO | disclosed |
| WO-2003014121-A1 | COMPOUNDS, DERIVATIVES, COMPOSITIONS, PREPARATION AND USES | GUILFORD PHARMACEUTICALS INC. (US) | 2003-02-20 | — | — | WO | disclosed |