Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | ALOX15B | O15296 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | GPR6 | P46095 | 5/20 | 0.32 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | GPR4 | P46093 | 1/20 | 0.32 |
| ▸ | HTR3A | P46098 | 1/20 | 0.32 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20859343 | 0.84 | ALK (0.36) | THRBALKKCNH2LRRK2DRD2 | |
| SCHEMBL20859264 | 0.78 | PLK4 (0.34) | ALKKCNH2LRRK2DRD2DRD3 | |
| SCHEMBL16615325 | 0.78 | ALK (0.44) | THRBALKKCNH2LRRK2DRD2 | |
| SCHEMBL16615323 | 0.78 | ALK (0.40) | THRBALKKCNH2LRRK2DRD2 | |
| SCHEMBL17969755 | 0.75 | ALK (0.34) | ALKLRRK2GPR6 | |
| SCHEMBL16615322 | 0.74 | ALK (0.42) | ALKKCNH2DRD2DRD3MAPT | |
| SCHEMBL17969806 | 0.73 | BCHE (0.35) | ALKKCNH2DRD2DRD3GPR6 | |
| SCHEMBL16615324 | 0.73 | ALK (0.34) | THRBALKKCNH2DRD2DRD3 | |
| SCHEMBL20859351 | 0.72 | THRB (0.35) | THRBALK | |
| SCHEMBL20859451 | 0.71 | ENPP2 (0.33) | THRBALK |
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-B1 | NEW CHEMICAL COMPOUNDS (DERIVATIVES) AND THEIR APPLICATION FOR THE TREATMENT OF ONCOLOGICAL DISEASES | LIMITED LIABILITY COMPANY NATIONAL PHARMACEUTICAL TECH (RU) | 2019-04-03 | — | — | 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 |