Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 6/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | BTK | Q06187 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16882818 | 0.96 | CDK4 (0.43) | CDK4ALDH1A1HSP90AA1HTTMAPT | |
| SCHEMBL2301307 | 0.83 | CDK4 (0.44) | CDK4ALDH1A1HSP90AA1HTTMAPT | |
| SCHEMBL20038259 | 0.82 | CDK4 (0.43) | CDK4ALDH1A1HSP90AA1HTTMAPT | |
| SCHEMBL18291203 | 0.82 | CDK4 (0.45) | CDK4ALDH1A1HSP90AA1HTTMAPT | |
| SCHEMBL20255665 | 0.82 | CDK4 (0.43) | CDK4ALDH1A1HSP90AA1HTTMAPT | |
| SCHEMBL2301365 | 0.79 | CDK4 (0.45) | CDK4ALDH1A1HSP90AA1HTTMAPT | |
| SCHEMBL20249345 | 0.79 | CDK4 (0.43) | CDK4ALDH1A1HSP90AA1HTTMAPT | |
| SCHEMBL2302436 | 0.78 | MAPT (0.51) | CDK4ALDH1A1HSP90AA1HTTMAPT | |
| SCHEMBL2302541 | 0.74 | MAPT (0.53) | CDK4MAPTBTK | |
| SCHEMBL13456031 | 0.71 | ALDH1A1 (0.47) | ALDH1A1HTTMEN1KMT2A |
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-2536730-B1 | PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 | NOVARTIS AG (CH) | 2015-07-08 | — | — | EP | disclosed |
| WO-2011101409-A1 | PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 | NOVARTIS AG (CH) | 2011-08-25 | — | — | WO | disclosed |