Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.44 |
| ▸ | HTR3B | O95264 | 1/20 | 0.44 |
| ▸ | HTR3A | P46098 | 1/20 | 0.44 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.44 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.43 |
| ▸ | MEN1 | O00255 | 6/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CCR3 | P51677 | 1/20 | 0.43 |
| ▸ | IGF1R | P08069 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13289559 | 0.95 | ALDH1A1 (0.48) | ALDH1A1CYP1A2CYP2C19HTR3EHTR3B | |
| SCHEMBL13121840 | 0.92 | GSK3B (0.51) | ALDH1A1CYP1A2CYP2C19HTR3EHTR3B | |
| SCHEMBL13121921 | 0.87 | GSK3B (0.53) | ALDH1A1CYP1A2CYP2C19HTR3EHTR3B | |
| SCHEMBL13121815 | 0.85 | GSK3B (0.55) | ALDH1A1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL13288948 | 0.84 | BRD4 (0.45) | ALDH1A1KMT2AMEN1L3MBTL1HDAC3 | |
| SCHEMBL13289584 | 0.83 | MEN1 (0.44) | ALDH1A1CYP2C19KMT2AMEN1TP53 | |
| SCHEMBL13288682 | 0.81 | GSK3B (0.44) | ALDH1A1CYP1A2CYP2C19KMT2AMEN1 | |
| SCHEMBL13289235 | 0.81 | CDK2 (0.45) | ALDH1A1KMT2AHDAC3HDAC1GSK3B | |
| SCHEMBL13288952 | 0.81 | CDK2 (0.44) | KMT2AMEN1HDAC3HDAC1MAPT | |
| SCHEMBL13289322 | 0.80 | GSK3B (0.46) | ALDH1A1KMT2AMAPTGSK3BCDK2 |
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 |