Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALK | Q9UM73 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | ENPP2 | Q13822 | 3/20 | 0.34 |
| ▸ | TNKS | O95271 | 2/20 | 0.33 |
| ▸ | PARP1 | P09874 | 2/20 | 0.33 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.33 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.33 |
| ▸ | ALOX15B | O15296 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16615328 | 0.89 | ALK (0.43) | ALKDRD2DRD3KCNH2TP53 | |
| SCHEMBL16615324 | 0.89 | ALK (0.34) | ALKDRD2DRD3KCNH2TP53 | |
| SCHEMBL16615266 | 0.85 | LMNA (0.38) | ALKMAPTALDH1A1 | |
| SCHEMBL16615365 | 0.85 | PLK4 (0.35) | ALKDRD2DRD3KCNH2TP53 | |
| SCHEMBL17918694 | 0.79 | ALK (0.49) | ALKDRD2DRD3KCNH2TP53 | |
| SCHEMBL16615265 | 0.76 | NPC1 (0.43) | ALKKCNH2ALDH1A1 | |
| SCHEMBL16615186 | 0.74 | ALK (0.34) | ALK | |
| SCHEMBL16615276 | 0.73 | ALK (0.32) | ALKMAPT | |
| SCHEMBL17969717 | 0.72 | ALK (0.40) | ALKLRRK2 | |
| SCHEMBL20859343 | 0.72 | ALK (0.36) | ALKDRD2DRD3KCNH2TP53 |
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 |