Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKB | Q96GD4 | 2/20 | 0.55 |
| ▸ | AURKA | O14965 | 2/20 | 0.55 |
| ▸ | GRIA1 | P42261 | 9/20 | 0.51 |
| ▸ | CACNG8 | Q8WXS5 | 9/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | CDK2 | P24941 | 2/20 | 0.44 |
| ▸ | KDR | P35968 | 2/20 | 0.44 |
| ▸ | PLK4 | O00444 | 1/20 | 0.44 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.44 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.44 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.44 |
| ▸ | CDK1 | P06493 | 1/20 | 0.44 |
| ▸ | LYN | P07948 | 1/20 | 0.44 |
| ▸ | RET | P07949 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29437830 | 1.00 | AURKB (0.55) | AURKBAURKAGRIA1CACNG8ALDH1A1 | |
| SCHEMBL22190930 | 0.85 | AURKB (0.44) | AURKBAURKAGRIA1CACNG8ALDH1A1 | |
| SCHEMBL22191136 | 0.82 | MAPT (0.51) | AURKBAURKAGRIA1CACNG8ALDH1A1 | |
| SCHEMBL22191685 | 0.82 | RET (0.51) | AURKBAURKAGRIA1CACNG8ALDH1A1 | |
| SCHEMBL22190817 | 0.81 | GAA (0.54) | AURKBGRIA1CACNG8ALDH1A1MAPT | |
| SCHEMBL22190814 | 0.80 | GRIA1 (0.48) | AURKBAURKAGRIA1CACNG8ALDH1A1 | |
| SCHEMBL22191468 | 0.79 | HDAC3 (0.49) | AURKBAURKAGRIA1CACNG8MAPT | |
| SCHEMBL22191095 | 0.75 | PLK4 (0.50) | AURKBGRIA1CACNG8MAPTHDAC3 | |
| SCHEMBL22191365 | 0.75 | GRM5 (0.45) | AURKBAURKAGRIA1CACNG8CDK2 | |
| SCHEMBL22190851 | 0.74 | MAPT (0.48) | AURKAGRIA1CACNG8ALDH1A1MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3906028-A1 | KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE | Icahn School of Medicine at Mount Sinai (US) | 2021-11-10 | — | — | EP | disclosed |
| CN-113543783-A | Kinase inhibitor compounds and compositions and methods of use | 西奈山伊坎医学院 | 2021-10-22 | — | — | CN | disclosed |
| WO-2020142486-A1 | KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE | ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) | 2020-07-09 | — | — | WO | disclosed |