Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.45 |
| ▸ | ALK | Q9UM73 | 3/20 | 0.37 |
| ▸ | JAK2 | O60674 | 2/20 | 0.37 |
| ▸ | PLK4 | O00444 | 1/20 | 0.37 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.37 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.37 |
| ▸ | ABL1 | P00519 | 1/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | CSF1R | P07333 | 1/20 | 0.37 |
| ▸ | RET | P07949 | 1/20 | 0.37 |
| ▸ | MET | P08581 | 1/20 | 0.37 |
| ▸ | ROS1 | P08922 | 1/20 | 0.37 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.37 |
| ▸ | SRC | P12931 | 1/20 | 0.37 |
| ▸ | FER | P16591 | 1/20 | 0.37 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.37 |
| ▸ | LTK | P29376 | 1/20 | 0.37 |
| ▸ | FLT4 | P35916 | 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 | |
|---|---|---|---|---|
| SCHEMBL16615272 | 0.95 | CHRM1 (0.41) | CHRM1CHRM3ALKJAK2PLK4 | |
| SCHEMBL17918778 | 0.94 | NPC1 (0.38) | CHRM1CHRM3ALKJAK2PLK4 | |
| SCHEMBL16615270 | 0.89 | ALK (0.40) | CHRM1CHRM3ALKJAK2PLK4 | |
| SCHEMBL16615277 | 0.85 | ALK (0.40) | CHRM1CHRM3ALKJAK2PLK4 | |
| SCHEMBL17918780 | 0.84 | ALK (0.45) | CHRM1CHRM3ALKJAK2PLK4 | |
| SCHEMBL16615269 | 0.83 | ALK (0.39) | ALKJAK2PLK4PRKD3MAP4K4 | |
| SCHEMBL17918711 | 0.83 | ALK (0.39) | ALKJAK2PLK4PRKD3MAP4K4 | |
| SCHEMBL16615162 | 0.83 | ALK (0.40) | ALKJAK2PLK4PRKD3MAP4K4 | |
| SCHEMBL16615289 | 0.82 | ALK (0.39) | ALKJAK2PLK4PRKD3MAP4K4 | |
| SCHEMBL17918673 | 0.81 | CHRM1 (0.44) | CHRM1CHRM3ALKMETUSP7 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3050884-A1 | NOVEL CHEMICAL COMPOUNDS (VARIANTS) AND THE USE THEREOF TO TREAT ONCOLOGICAL DISEASES | Limited Liability Company "National Pharmaceutical (RU) | 2016-08-03 | — | — | EP | disclosed |
| 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 |