Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.43 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.37 |
| ▸ | JAK2 | O60674 | 2/20 | 0.37 |
| ▸ | JAK1 | P23458 | 2/20 | 0.37 |
| ▸ | TYK2 | P29597 | 2/20 | 0.37 |
| ▸ | JAK3 | P52333 | 2/20 | 0.37 |
| ▸ | HTR2A | P28223 | 5/20 | 0.36 |
| ▸ | DRD2 | P14416 | 4/20 | 0.36 |
| ▸ | DRD1 | P21728 | 5/20 | 0.35 |
| ▸ | HTR1A | P08908 | 4/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.34 |
| ▸ | OGFRL1 | Q5TC84 | 1/20 | 0.34 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7041865 | 0.93 | PARP1 (0.43) | PARP1SCN9AJAK2JAK1TYK2 | |
| SCHEMBL7045984 | 0.93 | PARP1 (0.44) | PARP1SCN9AHTR2ADRD2DRD1 | |
| SCHEMBL7044198 | 0.91 | PARP1 (0.42) | PARP1SCN9AHTR2ADRD2DRD1 | |
| SCHEMBL7045077 | 0.90 | PARP1 (0.44) | PARP1SCN9AHTR2ADRD2DRD1 | |
| SCHEMBL7044630 | 0.90 | PARP1 (0.41) | PARP1SCN9AHTR2ADRD2DRD1 | |
| SCHEMBL7041326 | 0.88 | PARP1 (0.43) | PARP1SCN9AHTR2ADRD2OPRM1 | |
| SCHEMBL5620956 | 0.86 | PARP1 (0.57) | PARP1JAK2JAK1TYK2JAK3 | |
| SCHEMBL7044473 | 0.85 | PARP1 (0.43) | PARP1SCN9AHTR2ADRD2DRD1 | |
| SCHEMBL7042194 | 0.84 | PARP1 (0.47) | PARP1JAK2JAK1TYK2JAK3 | |
| SCHEMBL7040941 | 0.84 | PARP1 (0.57) | PARP1JAK2JAK1TYK2JAK3 |
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 |