Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.44 |
| ▸ | CDK1 | P06493 | 15/20 | 0.42 |
| ▸ | CDK2 | P24941 | 15/20 | 0.42 |
| ▸ | CDK4 | P11802 | 14/20 | 0.42 |
| ▸ | CCND1 | P24385 | 14/20 | 0.42 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.42 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.42 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.42 |
| ▸ | CCND3 | P30281 | 1/20 | 0.42 |
| ▸ | CDK7 | P50613 | 1/20 | 0.42 |
| ▸ | CDK9 | P50750 | 1/20 | 0.42 |
| ▸ | CCNH | P51946 | 1/20 | 0.42 |
| ▸ | MNAT1 | P51948 | 1/20 | 0.42 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.42 |
| ▸ | CCNK | O75909 | 1/20 | 0.39 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | JUN | P05412 | 1/20 | 0.38 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.38 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3776834 | 0.84 | NSD2 (0.49) | IRAK4CDK1CDK2CDK4CCND1 | |
| SCHEMBL16671765 | 0.81 | PIK3CD (0.49) | IRAK4CDK1CDK2CDK4CCND1 | |
| SCHEMBL27708448 | 0.78 | CDK1 (0.69) | CDK1CDK2CDK4CCND1CDK7 | |
| SCHEMBL31524129 | 0.78 | NPC1 (0.51) | IRAK4CDK1CDK2CDK4CCND1 | |
| SCHEMBL27818542 | 0.76 | IRAK4 (0.45) | IRAK4CDK1CDK2CDK4CCND1 | |
| SCHEMBL27756075 | 0.76 | CDK12 (0.43) | CCNKCDK12MAPK8MAPK9 | |
| SCHEMBL1936977 | 0.75 | IRAK4 (0.46) | IRAK4CDK1CDK2CDK4CCND1 | |
| SCHEMBL1936981 | 0.75 | IRAK4 (0.46) | IRAK4CDK1CDK2CDK4CCND1 | |
| SCHEMBL27818541 | 0.75 | IRAK4 (0.46) | IRAK4CDK1CDK2CDK4CCND1 | |
| SCHEMBL28171801 | 0.75 | KDM4E (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101405284-A | Pyrimidine, quinazoline, pteridine and derivatives | HOFFMANN LA ROCHE (CH) | 2009-04-08 | — | — | CN | disclosed |