Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.42 |
| ▸ | CCR1 | P32246 | 3/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.39 |
| ▸ | SLC2A2 | P11168 | 1/20 | 0.39 |
| ▸ | SLC2A3 | P11169 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | SMO | Q99835 | 1/20 | 0.38 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL6278822 | 0.83 | RXFP1 (0.45) | ESR1CYP17A1CYP1A2CYP11B2MAPK14 | |
| SCHEMBL6267646 | 0.83 | NPC1 (0.48) | CYP11B2CYP11B1NPC1KDM4EMAPT | |
| SCHEMBL31632994 | 0.74 | CYP11B2 (0.48) | ESR1CYP11B2MAPK14CYP11B1NPC1 | |
| SCHEMBL4573821 | 0.74 | MAPK14 (0.50) | ESR1CYP17A1CYP1A2CYP11B2MAPK14 | |
| SCHEMBL31632913 | 0.72 | CCR1 (0.58) | CYP17A1CYP1A2CYP11B2MAPK14CCR1 | |
| SCHEMBL2207105 | 0.72 | CCR1 (0.58) | CYP11B2CCR1CYP3A4 | |
| SCHEMBL30918020 | 0.71 | CYP11B2 (0.54) | CYP11B2MAPK14CYP11B1SMONR3C1 | |
| SCHEMBL31632873 | 0.70 | CCR1 (0.46) | CYP17A1CYP1A2CYP11B2MAPK14CCR1 | |
| SCHEMBL6207703 | 0.70 | SLC2A1 (0.58) | CYP17A1CYP1A2GSK3BSLC2A1SLC2A2 | |
| SCHEMBL31632924 | 0.70 | MAPK14 (0.50) | MAPK14CCR1SLC2A1SLC2A2SLC2A3 |
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-1551841-A1 | PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS | SmithKline Beecham Corporation (US) | 2005-07-13 | — | — | EP | disclosed |
| WO-2004009602-A1 | PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2004-01-29 | — | — | WO | disclosed |