Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALK | Q9UM73 | 2/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | PLAT | P00750 | 5/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | ALOX15B | O15296 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16615325 | 0.82 | ALK (0.44) | ALKTHRBLRRK2DRD2DRD3 | |
| SCHEMBL16615361 | 0.78 | ALK (0.41) | ALKLRRK2DRD2DRD3KCNH2 | |
| SCHEMBL16615210 | 0.78 | THRB (0.36) | ALKTHRBLRRK2DRD2DRD3 | |
| SCHEMBL20859343 | 0.76 | ALK (0.36) | ALKTHRBPLATLRRK2DRD2 | |
| SCHEMBL16615084 | 0.75 | ALK (0.46) | ALKLRRK2DRD2DRD3KCNH2 | |
| SCHEMBL16615287 | 0.75 | ALK (0.44) | ALKLRRK2DRD2DRD3KCNH2 | |
| SCHEMBL16615290 | 0.75 | ALK (0.38) | ALKTP53 | |
| SCHEMBL17918694 | 0.75 | ALK (0.49) | ALKLRRK2DRD2DRD3KCNH2 | |
| SCHEMBL16615324 | 0.74 | ALK (0.34) | ALKTHRBDRD2DRD3KCNH2 | |
| SCHEMBL17918756 | 0.72 | TLR9 (0.39) | ALKTHRBLRRK2TP53SLC6A2 |
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 |