Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.51 |
| ▸ | SMPD3 | Q9NY59 | 3/20 | 0.40 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.40 |
| ▸ | HTR7 | P34969 | 8/20 | 0.39 |
| ▸ | NOS3 | P29474 | 2/20 | 0.38 |
| ▸ | NOS1 | P29475 | 2/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21274094 | 0.98 | PARP1 (0.50) | PARP1SMPD3GRM2HTR7 | |
| SCHEMBL21274069 | 0.90 | PARP1 (0.52) | PARP1HTR7HRH3 | |
| SCHEMBL21268791 | 0.89 | HTR3E (0.43) | PARP1HTR7HRH3 | |
| SCHEMBL21274287 | 0.87 | KCNH2 (0.45) | PARP1HTR7 | |
| SCHEMBL21274001 | 0.86 | CHKA (0.43) | PARP1HRH3 | |
| SCHEMBL21273960 | 0.86 | HRH3 (0.53) | HTR7HRH3 | |
| SCHEMBL21281443 | 0.85 | HTR7 (0.44) | PARP1HTR7HRH3 | |
| SCHEMBL21274498 | 0.85 | HTR7 (0.43) | PARP1HTR7HRH3 | |
| SCHEMBL21273939 | 0.85 | SLC6A2 (0.47) | HTR7 | |
| SCHEMBL21274474 | 0.85 | PIM1 (0.44) | PARP1HRH3 |
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-3527209-A1 | PHARMACEUTICAL 6,5 HETEROBICYCLIC RING DERIVATIVES | UCB Biopharma SPRL (BE) | 2019-08-21 | — | — | EP | disclosed |