Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALK | Q9UM73 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 1/20 | 0.31 |
| ▸ | GPR6 | P46095 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL16615265 | 0.88 | NPC1 (0.43) | ALKCHRM1CHRM3GPR6 | |
| SCHEMBL16615266 | 0.84 | LMNA (0.38) | ALKMAPTCYP2C9CYP2C19 | |
| SCHEMBL17969717 | 0.74 | ALK (0.40) | ALKCHRM1CHRM3KDR | |
| SCHEMBL16615336 | 0.73 | LMNA (0.35) | ALKMAPTCYP2C19 | |
| SCHEMBL16615327 | 0.73 | ALK (0.40) | ALKMAPT | |
| SCHEMBL16615324 | 0.72 | ALK (0.34) | ALK | |
| SCHEMBL16615200 | 0.72 | CHRM1 (0.45) | CHRM1CHRM3 | |
| SCHEMBL16615312 | 0.70 | NR1H4 (0.36) | — | |
| SCHEMBL16615186 | 0.69 | ALK (0.34) | ALKGPR6 | |
| SCHEMBL17918692 | 0.67 | NPC1 (0.42) | ALKCHRM1CHRM3KDR |
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 |