Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALK | Q9UM73 | 1/20 | 0.34 |
| ▸ | BRAF | P15056 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
| ▸ | GPR6 | P46095 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16615167 | 0.84 | MAP4K3 (0.31) | — | |
| SCHEMBL16615075 | 0.79 | ALK (0.42) | ALKBRAFSLC6A2SLC6A4NPC1 | |
| SCHEMBL16615324 | 0.78 | ALK (0.34) | ALK | |
| SCHEMBL16615327 | 0.74 | ALK (0.40) | ALK | |
| SCHEMBL16615077 | 0.73 | BCHE (0.39) | ALKSLC6A2SLC6A4GPR6 | |
| SCHEMBL16615265 | 0.72 | NPC1 (0.43) | ALKGPR6NPC1RAB9A | |
| SCHEMBL16615266 | 0.71 | LMNA (0.38) | ALK | |
| SCHEMBL20859278 | 0.71 | ALK (0.33) | ALKBRAFSLC6A2SLC6A4 | |
| SCHEMBL16615084 | 0.71 | ALK (0.46) | ALKBRAF | |
| SCHEMBL16615336 | 0.70 | LMNA (0.35) | ALKNPC1RAB9A |
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 |