Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALK | Q9UM73 | 7/20 | 0.40 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.37 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.37 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.37 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.37 |
| ▸ | ABL1 | P00519 | 1/20 | 0.37 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | CSF1R | P07333 | 1/20 | 0.37 |
| ▸ | RET | P07949 | 1/20 | 0.37 |
| ▸ | IGF1R | P08069 | 1/20 | 0.37 |
| ▸ | MET | P08581 | 1/20 | 0.37 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.37 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.37 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.37 |
| ▸ | FLT1 | P17948 | 1/20 | 0.37 |
| ▸ | LTK | P29376 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | FLT3 | P36888 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16615336 | 0.89 | LMNA (0.35) | ALKLMNAPKM | |
| SCHEMBL16615329 | 0.86 | ALK (0.39) | ALKCHEK1AURKAJAK2PRKD3 | |
| SCHEMBL17969732 | 0.81 | ALK (0.48) | ALKCHEK1AURKAJAK2PRKD3 | |
| SCHEMBL16615076 | 0.76 | ALK (0.33) | ALKLMNA | |
| SCHEMBL17969717 | 0.75 | ALK (0.40) | ALKCHEK1AURKAJAK2PRKD3 | |
| SCHEMBL16615328 | 0.71 | ALK (0.43) | ALKCHEK1AURKAJAK2PRKD3 | |
| SCHEMBL17918697 | 0.70 | ALK (0.48) | ALKCHEK1AURKAJAK2PRKD3 | |
| SCHEMBL17918774 | 0.69 | ALK (0.41) | ALKCHEK1AURKAJAK2PRKD3 | |
| SCHEMBL17918775 | 0.68 | ALK (0.32) | ALKCHEK1AURKAJAK2PRKD3 | |
| SCHEMBL17969733 | 0.67 | ALK (0.38) | ALKCHEK1AURKAJAK2PRKD3 |
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-2015047133-A1 | NOVEL CHEMICAL COMPOUNDS (VARIANTS) AND THE USE THEREOF TO TREAT ONCOLOGICAL DISEASES | ОБЩЕСТВО С ОГРАНИЧЕННОЙ ОТВЕТСТВЕННОСТЬЮ "ОТЕЧЕСТВЕННЫЕ ФАРМАЦЕВТИЧЕСКИЕ ТЕХНОЛОГИИ" | 2015-04-02 | — | — | WO | disclosed |