Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.48 |
| ▸ | TRPV1 | Q8NER1 | 12/20 | 0.47 |
| ▸ | DRD2 | P14416 | 2/20 | 0.44 |
| ▸ | DRD4 | P21917 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL5655518 | 1.00 | PARP1 (0.48) | PARP1TRPV1DRD2DRD4GAA | |
| SCHEMBL5774775 | 0.85 | DRD4 (0.46) | PARP1DRD2DRD4GAAALDH1A1 | |
| SCHEMBL3783255 | 0.84 | PARP1 (0.45) | PARP1DRD2DRD4ALDH1A1MAPT | |
| SCHEMBL5657579 | 0.79 | HTT (0.46) | TRPV1DRD2ALDH1A1MAPT | |
| SCHEMBL5659963 | 0.79 | AOC3 (0.46) | ALDH1A1 | |
| SCHEMBL5659968 | 0.79 | AOC3 (0.46) | ALDH1A1 | |
| SCHEMBL5659998 | 0.79 | ALDH1A1 (0.59) | PARP1TRPV1GAAALDH1A1MAPT | |
| SCHEMBL5658401 | 0.79 | HTR1A (0.58) | PARP1DRD2DRD4 | |
| SCHEMBL3786601 | 0.77 | ALDH1A1 (0.47) | PARP1DRD2DRD4GAAALDH1A1 | |
| SCHEMBL4759018 | 0.76 | DRD2 (0.44) | PARP1DRD2DRD4GAAALDH1A1 |
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-1392686-B1 | BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES FOR USE AS ANTIBACTERIALS | SMITHKLINE BEECHAM PLC (GB) | 2006-10-18 | — | — | EP | disclosed |