Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | ALK | Q9UM73 | 7/20 | 0.40 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 1/20 | 0.39 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | CSF1R | P07333 | 1/20 | 0.39 |
| ▸ | RET | P07949 | 1/20 | 0.39 |
| ▸ | IGF1R | P08069 | 1/20 | 0.39 |
| ▸ | MET | P08581 | 1/20 | 0.39 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.39 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.39 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.39 |
| ▸ | FLT1 | P17948 | 1/20 | 0.39 |
| ▸ | LTK | P29376 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17918670 | 0.73 | ALK (0.52) | ALDH1A1ALKCHEK1AURKAJAK2 | |
| SCHEMBL20045570 | 0.68 | SLC6A4 (0.48) | ALDH1A1SLC6A2SLC6A4 | |
| SCHEMBL20859275 | 0.68 | ALK (0.36) | ALDH1A1ALKCHEK1AURKAJAK2 | |
| SCHEMBL24709818 | 0.63 | KDM4E (0.50) | ALDH1A1ALKPOLB | |
| SCHEMBL19284133 | 0.63 | KDM4E (0.47) | ALDH1A1RETKDRPOLBSLC6A2 | |
| SCHEMBL19461600 | 0.63 | KDM4E (0.59) | ALDH1A1POLB | |
| SCHEMBL16615319 | 0.63 | ALK (0.59) | ALKCHEK1AURKAJAK2PRKD3 | |
| SCHEMBL20818297 | 0.63 | P2RX7 (0.51) | ALDH1A1P2RX7TRPC5SLC6A2SLC6A4 | |
| Bromide SCHEMBL30110764 | 0.62 | KDM4E (0.49) | ALDH1A1ALKPOLB | |
| SCHEMBL938117 | 0.61 | IDO1 (0.46) | NTRK1P2RX7SLC6A2SLC6A4 |
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 |