Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 8/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | CACNA2D1 | P54289 | 6/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10289135 | 0.83 | CTSD (0.48) | CTSDALDH1A1HTTCACNA2D1 | |
| SCHEMBL31241110 | 0.78 | PDE5A (0.46) | CTSDALDH1A1HTTCACNA2D1 | |
| SCHEMBL9953300 | 0.78 | PDE5A (0.46) | CTSDALDH1A1HTTCACNA2D1 | |
| SCHEMBL28228572 | 0.74 | LMNA (0.42) | ALDH1A1HTT | |
| SCHEMBL10288755 | 0.73 | POLR1A (0.41) | CTSDALDH1A1HTTCACNA2D1OPRM1 | |
| SCHEMBL31241091 | 0.73 | CACNA2D1 (0.47) | ALDH1A1CACNA2D1OPRM1 | |
| SCHEMBL10289136 | 0.72 | CACNA2D1 (0.51) | HTTCACNA2D1OPRM1 | |
| SCHEMBL9953779 | 0.72 | ALOX15 (0.55) | ALDH1A1HTTCACNA2D1 | |
| SCHEMBL9960599 | 0.70 | MAPK1 (0.49) | ALDH1A1HTT | |
| SCHEMBL9952969 | 0.69 | DPP4 (0.51) | ALDH1A1CACNA2D1OPRM1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012087938-A1 | QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS | GLAXOSMITHKLINE LLC (US) | 2012-06-28 | — | — | WO | disclosed |