Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.45 |
| ▸ | PROKR1 | Q8TCW9 | 2/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | BTK | Q06187 | 2/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.35 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7038340 | 0.95 | PARP1 (0.48) | PARP1PROKR1HSD11B1BTKHTR2B | |
| SCHEMBL7040671 | 0.85 | PARP1 (0.50) | PARP1PROKR1HSD11B1HTR2B | |
| SCHEMBL5622558 | 0.84 | PARP1 (0.62) | PARP1PROKR1 | |
| SCHEMBL7040201 | 0.83 | PARP1 (0.54) | PARP1HSD11B1HTR2B | |
| SCHEMBL7043274 | 0.82 | TP53 (0.46) | PARP1HSD11B1BTK | |
| SCHEMBL7040495 | 0.82 | PARP1 (0.65) | PARP1 | |
| SCHEMBL7043780 | 0.82 | PARP1 (0.47) | PARP1HSD11B1HTR2B | |
| SCHEMBL7042003 | 0.80 | PARP1 (0.48) | PARP1HTR2B | |
| SCHEMBL7041082 | 0.79 | PARP1 (0.52) | PARP1HTR2BALDH1A1 | |
| SCHEMBL7044651 | 0.79 | MEN1 (0.40) | PDE7AALDH1A1 |
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 |