Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 1/20 | 0.47 |
| ▸ | CCND1 | P24385 | 1/20 | 0.47 |
| ▸ | AKT1 | P31749 | 9/20 | 0.44 |
| ▸ | NEK1 | Q96PY6 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ECE1 | P42892 | 1/20 | 0.41 |
| ▸ | GBA1 | P04062 | 1/20 | 0.41 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.40 |
| ▸ | PRKCG | P05129 | 1/20 | 0.40 |
| ▸ | LCK | P06239 | 1/20 | 0.40 |
| ▸ | CDK1 | P06493 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.40 |
| ▸ | PRKACA | P17612 | 1/20 | 0.40 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | AKT2 | P31751 | 1/20 | 0.40 |
| ▸ | FLT4 | P35916 | 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 | |
|---|---|---|---|---|
| SCHEMBL4766487 | 1.00 | CDK4 (0.47) | CDK4CCND1AKT1NEK1KMT2A | |
| SCHEMBL4773620 | 1.00 | CDK4 (0.47) | CDK4CCND1AKT1NEK1KMT2A | |
| SCHEMBL4775038 | 0.88 | CDK4 (0.47) | CDK4CCND1AKT1KMT2AMEN1 | |
| SCHEMBL4776020 | 0.87 | CDK4 (0.49) | CDK4CCND1AKT1KMT2AMEN1 | |
| SCHEMBL4768727 | 0.86 | TDP1 (0.51) | CDK4CCND1AKT1KMT2AMEN1 | |
| SCHEMBL2240341 | 0.83 | CDK4 (0.50) | CDK4CCND1AKT1KMT2AMEN1 | |
| SCHEMBL4773513 | 0.82 | CYP2A6 (0.44) | KMT2AMEN1ECE1ROCK2PRKACA | |
| SCHEMBL4775017 | 0.82 | CYP2A6 (0.44) | KMT2AMEN1ECE1ROCK2PRKACA | |
| SCHEMBL4773536 | 0.82 | CYP2A6 (0.44) | KMT2AMEN1ECE1ROCK2PRKACA | |
| SCHEMBL4773182 | 0.81 | CYP2A6 (0.39) | DYRK3PIM1CDK2DYRK1ACLK4 |
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-1878733-A1 | Pyrimidine derivatives as ALK-5 inhibitors | Novartis AG (CH) | 2008-01-16 | — | — | EP | disclosed |