Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRAF | P15056 | 2/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 4/20 | 0.42 |
| ▸ | POLR1A | O95602 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.40 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.40 |
| ▸ | RAD52 | P43351 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | AXL | P30530 | 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 | |
|---|---|---|---|---|
| SCHEMBL30512121 | 1.00 | BRAF (0.46) | BRAFUSP2MAP3K5HTR1APOLR1A | |
| SCHEMBL25880004 | 0.85 | SYK (0.45) | MAP3K5MAP4K1 | |
| SCHEMBL30512114 | 0.83 | EGFR (0.48) | MAP3K5MAP4K1EGFRAXL | |
| SCHEMBL25882002 | 0.83 | EGFR (0.48) | MAP3K5MAP4K1EGFRAXL | |
| SCHEMBL25879895 | 0.83 | BRAF (0.51) | BRAFMAP3K5RAD52 | |
| SCHEMBL30512108 | 0.83 | BRAF (0.51) | BRAFMAP3K5RAD52 | |
| SCHEMBL25879889 | 0.83 | HRH4 (0.50) | MAP3K5MAP4K1PDGFRBPDGFRA | |
| SCHEMBL30512112 | 0.79 | MAP3K5 (0.54) | BRAFMAP3K5 | |
| SCHEMBL25879550 | 0.79 | MAP3K5 (0.54) | BRAFMAP3K5 | |
| SCHEMBL30512136 | 0.76 | MAP3K5 (0.54) | BRAFMAP3K5SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023138412-A1 | FUSED PYRIMIDIN-2-AMINE COMPOUNDS AS CDK20 INHIBITORS | INSILICO MEDICINE IP LIMITED (CN) | 2023-07-27 | — | — | WO | disclosed |