Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKN1 | Q16512 | 1/20 | 0.35 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.35 |
| ▸ | MAP4K1 | Q92918 | 3/20 | 0.34 |
| ▸ | NQO2 | P16083 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.33 |
| ▸ | PI4KA | P42356 | 1/20 | 0.33 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.33 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.32 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4884772 | 0.80 | TSHR (0.39) | CYP3A4MAPTALDH1A1GABRA1TSHR | |
| SCHEMBL14311953 | 0.79 | LMNA (0.40) | PKN1PKN2CYP3A4ALDH1A1GABRA1 | |
| SCHEMBL7575286 | 0.73 | ALDH1A1 (0.42) | CYP3A4MAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL21084213 | 0.69 | TP53 (0.43) | CYP3A4MAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL16661091 | 0.66 | PIK3CD (0.38) | MAP4K1CYP3A4MAPTPIK3CDPIK3CA | |
| SCHEMBL4400239 | 0.65 | PKN1 (0.34) | PKN1PKN2MAP4K1CYP3A4MAPT | |
| SCHEMBL9636673 | 0.63 | ALDH1A1 (0.44) | MAP4K1NQO2MAPTPIK3CDPIK3CA | |
| SCHEMBL9637797 | 0.63 | ALDH1A1 (0.47) | NQO2MAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL17969226 | 0.61 | ALDH1A1 (0.39) | MAPTPIK3CDPIK3CAPIK3CBPI4KA | |
| SCHEMBL18527400 | 0.61 | ASIC3 (0.40) | TSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2536730-A1 | PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 | Novartis AG (CH) | 2012-12-26 | — | — | EP | disclosed |
| WO-2011101409-A1 | PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 | NOVARTIS AG (CH) | 2011-08-25 | — | — | WO | disclosed |
| EP-2331547-A1 | PYRROLOPYRIMIDINE COMPOUNDS AS CDK INHIBITORS | Novartis AG (CH) | 2011-06-15 | — | — | EP | disclosed |
| WO-2010020675-A1 | PYRROLOPYRIMIDINE COMPOUNDS AS CDK INHIBITORS | NOVARTIS AG (CH) | 2010-02-25 | — | — | WO | disclosed |