Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 4/20 | 0.45 |
| ▸ | CDK2 | P24941 | 3/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | SIRT5 | Q9NXA8 | 2/20 | 0.37 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.37 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MARS1 | P56192 | 1/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13289322 | 0.94 | GSK3B (0.46) | GSK3BCDK2CNR1KMT2AHTT | |
| SCHEMBL13121927 | 0.91 | GSK3B (0.55) | GSK3BCDK2CNR1SIRT5SIRT1 | |
| SCHEMBL13289584 | 0.91 | MEN1 (0.44) | GSK3BCDK2CYP3A4CYP2C19MEN1 | |
| SCHEMBL14545285 | 0.87 | CDK2 (0.44) | GSK3BCDK2CNR1SIRT5TP53 | |
| SCHEMBL13289345 | 0.86 | GSK3B (0.47) | GSK3BCDK2MEN1KMT2A | |
| SCHEMBL13289559 | 0.85 | ALDH1A1 (0.48) | GSK3BCDK2CYP1A2CYP2C19MEN1 | |
| SCHEMBL13121889 | 0.85 | GSK3B (0.55) | GSK3BCDK2KMT2AHTTRAB9A | |
| SCHEMBL13121890 | 0.84 | GSK3B (0.55) | GSK3BCDK2CNR1CYP1A2CYP3A4 | |
| SCHEMBL14545834 | 0.84 | GSK3B (0.44) | GSK3BCDK2MEN1KMT2A | |
| SCHEMBL13289380 | 0.84 | CDK2 (0.43) | GSK3BCDK2CNR1MEN1KMT2A |
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 |