Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.45 |
| ▸ | HTR3B | O95264 | 1/20 | 0.45 |
| ▸ | HTR3A | P46098 | 1/20 | 0.45 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.45 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 7/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 2/20 | 0.41 |
| ▸ | IGF1R | P08069 | 2/20 | 0.41 |
| ▸ | CDK2 | P24941 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | RBP4 | P02753 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL13289360 | 0.95 | ALDH1A1 (0.46) | ALDH1A1CYP1A2CYP2C19HTR3EHTR3B | |
| SCHEMBL13121921 | 0.91 | GSK3B (0.53) | ALDH1A1CYP1A2CYP2C19HTR3EHTR3B | |
| SCHEMBL13289584 | 0.87 | MEN1 (0.44) | ALDH1A1CYP2C19MEN1KMT2ATP53 | |
| SCHEMBL13121840 | 0.87 | GSK3B (0.51) | ALDH1A1CYP1A2CYP2C19HTR3EHTR3B | |
| SCHEMBL13289615 | 0.85 | GSK3B (0.45) | CYP1A2CYP2C19MEN1KMT2ATP53 | |
| SCHEMBL13121885 | 0.85 | GSK3B (0.56) | ALDH1A1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL14545834 | 0.84 | GSK3B (0.44) | ALDH1A1MEN1KMT2AGSK3BCDK2 | |
| SCHEMBL13289322 | 0.83 | GSK3B (0.46) | ALDH1A1KMT2AMAPTGSK3BCDK2 | |
| SCHEMBL13121640 | 0.82 | CDK2 (0.61) | ALDH1A1CYP1A2CYP2C19MEN1KMT2A | |
| SCHEMBL13289349 | 0.81 | GSK3B (0.46) | ALDH1A1CYP1A2CYP2C19MEN1KMT2A |
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 |