Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 4/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 3/20 | 0.42 |
| ▸ | CDK2 | P24941 | 2/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | PYGL | P06737 | 7/20 | 0.40 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.40 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.40 |
| ▸ | ITGAL | P20701 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13120198 | 0.90 | CDK2 (0.54) | HPGDCYP1A2CYP2C19ALDH1A1NPSR1 | |
| SCHEMBL13289012 | 0.86 | CDK2 (0.54) | HPGDCYP1A2CYP2C19ALDH1A1NPSR1 | |
| SCHEMBL13120104 | 0.84 | CDK2 (0.56) | HPGDALDH1A1GSK3BCDK2PYGL | |
| SCHEMBL13288657 | 0.84 | KMT2A (0.43) | HPGDALDH1A1GSK3BCDK2PYGL | |
| SCHEMBL13120025 | 0.83 | CDK2 (0.56) | HPGDALDH1A1GSK3BCDK2PYGL | |
| SCHEMBL13289249 | 0.83 | GSK3B (0.46) | HPGDALDH1A1GSK3BCDK2 | |
| SCHEMBL14545263 | 0.81 | ALDH1A1 (0.43) | ALDH1A1GSK3BCDK2 | |
| SCHEMBL13120437 | 0.80 | GSK3B (0.50) | HPGDCYP1A2CYP2C19ALDH1A1NPSR1 | |
| SCHEMBL14545258 | 0.80 | GSK3B (0.46) | HPGDALDH1A1GSK3BCDK2 | |
| SCHEMBL13289193 | 0.80 | GSK3B (0.47) | HPGDALDH1A1GSK3BCDK2 |
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-2194058-A1 | Pyrazolopyrimidines suitable for the treatment of cancer diseases | SCHERING CORPORATION (US) | 2010-06-09 | — | — | EP | disclosed |