Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | PDCD1LG2 | Q9BQ51 | 2/20 | 0.32 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.32 |
| ▸ | TKT | P29401 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5767015 | 0.78 | ALDH1A1 (0.35) | ALDH1A1 | |
| SCHEMBL5747353 | 0.76 | HRH4 (0.37) | — | |
| SCHEMBL30492965 | 0.74 | TKT (0.39) | ALDH1A1PDCD1LG2CD274TKT | |
| SCHEMBL845810 | 0.74 | TKT (0.39) | ALDH1A1PDCD1LG2CD274TKT | |
| SCHEMBL21767557 | 0.73 | SLC6A2 (0.51) | TKT | |
| SCHEMBL31072045 | 0.73 | SLC6A2 (0.51) | TKT | |
| SCHEMBL15951054 | 0.71 | SIRT2 (0.39) | PDCD1LG2CD274TKT | |
| SCHEMBL5746997 | 0.70 | GPR84 (0.33) | — | |
| SCHEMBL30968506 | 0.69 | KDM4E (0.40) | ALDH1A1TKT | |
| SCHEMBL5745630 | 0.69 | CTRC (0.39) | PDCD1LG2CD274TKT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1675858-A2 | 5-ARYL-PYRAZOLO [4,3-D] PYRIMIDINES, PYRIDINES, AND PYRAZINES AND RELATED COMPOUNDS | NEUROGEN CORPORATION (US) | 2006-07-05 | — | — | EP | disclosed |
| WO-2005028480-A2 | 5-ARYL-PYRAZOLO[4,3-D]PYRIMIDINES, PYRIDINES, AND PYRAZINES AND RELATED COMPOUNDS | NEUROGEN CORPORATION (US) | 2005-03-31 | — | — | WO | disclosed |