Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 9/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.44 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.43 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.43 |
| ▸ | RPS6KB1 | P23443 | 4/20 | 0.42 |
| ▸ | AKT1 | P31749 | 3/20 | 0.42 |
| ▸ | CSNK1A1 | P48729 | 2/20 | 0.42 |
| ▸ | DYRK1B | Q9Y463 | 2/20 | 0.42 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.42 |
| ▸ | AURKA | O14965 | 2/20 | 0.41 |
| ▸ | PLK4 | O00444 | 1/20 | 0.41 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.41 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.41 |
| ▸ | CSF1R | P07333 | 1/20 | 0.41 |
| ▸ | RET | P07949 | 1/20 | 0.41 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.41 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29558330 | 0.86 | PARP1 (0.62) | PARP1PKN1PKN2RPS6KB1AKT1 | |
| SCHEMBL528715 | 0.86 | PARP1 (0.62) | PARP1PKN1PKN2RPS6KB1AKT1 | |
| Hydrochloric Acid SCHEMBL31382875 | 0.84 | PARP1 (0.60) | PARP1PKN1PKN2RPS6KB1AKT1 | |
| SCHEMBL3074807 | 0.80 | EGFR (0.50) | CLK4KDM4EALDH1A1GAA | |
| SCHEMBL28199876 | 0.80 | PARP1 (0.73) | PARP1NPC1BCAT2CSNK1A1DYRK1B | |
| Trifluoroacetic Acid SCHEMBL28386678 | 0.77 | PARP1 (0.51) | PARP1PKN1PKN2RPS6KB1AKT1 | |
| SCHEMBL27894609 | 0.77 | IRAK4 (0.46) | NPC1RAB9ABCAT2RPS6KB1AKT1 | |
| SCHEMBL27527609 | 0.76 | EGFR (0.44) | KDM4EGAA | |
| SCHEMBL23376743 | 0.75 | NUDT1 (0.51) | PARP1BCAT2CSNK1A1DYRK1BTYRO3 | |
| SCHEMBL31187611 | 0.74 | ALDH1A1 (0.47) | PARP1KDM4EALDH1A1 |
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-106456752-A | Combinations of cancer therapeutics | 默克专利股份公司 | 2017-02-22 | — | — | CN | claimed |