Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K5 | Q99683 | 2/20 | 0.41 |
| ▸ | FDPS | P14324 | 1/20 | 0.39 |
| ▸ | MGAM | O43451 | 2/20 | 0.37 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CCNA2 | P20248 | 7/20 | 0.35 |
| ▸ | CDK2 | P24941 | 7/20 | 0.35 |
| ▸ | CDK7 | P50613 | 5/20 | 0.35 |
| ▸ | CCNH | P51946 | 5/20 | 0.35 |
| ▸ | MNAT1 | P51948 | 5/20 | 0.35 |
| ▸ | CCNK | O75909 | 4/20 | 0.35 |
| ▸ | CDK12 | Q9NYV4 | 4/20 | 0.35 |
| ▸ | MAP3K7 | O43318 | 1/20 | 0.35 |
| ▸ | MAP3K6 | O95382 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL25314060 | 0.88 | MAP3K5 (0.41) | MAP3K5FDPSALDH1A1CCNA2CDK2 | |
| SCHEMBL8986816 | 0.68 | MAP3K5 (0.54) | MAP3K5FDPSALDH1A1CCNA2CDK2 | |
| SCHEMBL31143762 | 0.68 | MAP3K5 (0.54) | MAP3K5FDPSALDH1A1CCNA2CDK2 | |
| SCHEMBL31060745 | 0.68 | NPC1 (0.58) | MAP3K5FDPSALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL6307534 | 0.68 | NPC1 (0.58) | MAP3K5FDPSALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL1483456 | 0.67 | MAP3K5 (0.68) | MAP3K5FDPSMAP3K7MAP3K6SMN1; SMN2 | |
| SCHEMBL28184943 | 0.67 | FDPS (0.48) | MAP3K5FDPSALDH1A1HPGDCCNA2 | |
| Benzene SCHEMBL28219940 | 0.67 | MAP3K5 (0.49) | MAP3K5FDPSALDH1A1CCNA2CDK2 | |
| SCHEMBL6467426 | 0.67 | MAP3K5 (0.54) | MAP3K5FDPSALDH1A1HPGDCDK2 | |
| SCHEMBL28185608 | 0.66 | MAP3K5 (0.51) | MAP3K5FDPSALDH1A1HPGDCCNA2 |
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 |