Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 9/20 | 0.43 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | SIRT6 | Q8N6T7 | 2/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | CSF1R | P07333 | 1/20 | 0.36 |
| ▸ | RET | P07949 | 1/20 | 0.36 |
| ▸ | LTK | P29376 | 1/20 | 0.36 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.36 |
| ▸ | CDK8 | P49336 | 1/20 | 0.36 |
| ▸ | CLK2 | P49760 | 1/20 | 0.36 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.36 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MC4R | P32245 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21688725 | 0.88 | TGFBR1 (0.49) | TGFBR1BACE1LMNASIRT6ROCK1 | |
| SCHEMBL25418147 | 0.85 | KDM4E (0.44) | TGFBR1BACE1ROCK1TSHRHDAC1 | |
| SCHEMBL17169819 | 0.85 | BACE1 (0.39) | TGFBR1BACE1ROCK1TSHRHDAC1 | |
| SCHEMBL15717868 | 0.78 | KDM4E (0.53) | — | |
| SCHEMBL7939767 | 0.78 | DYRK1A (0.35) | BACE1LMNAROCK1HDAC1 | |
| SCHEMBL16376279 | 0.76 | ROCK1 (0.43) | TGFBR1BACE1ROCK1HDAC1 | |
| SCHEMBL21033324 | 0.76 | PTGS1 (0.49) | TGFBR1BACE1ROCK1TSHR | |
| SCHEMBL30803906 | 0.75 | TGFBR1 (0.42) | TGFBR1ROCK1LCKAURKACSF1R | |
| SCHEMBL31600635 | 0.75 | ROCK1 (0.45) | TGFBR1BACE1ROCK1 | |
| SCHEMBL29651960 | 0.74 | ADA (0.35) | TGFBR1SIRT6LCK |
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-2920177-A1 | COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES | Novartis AG (CH) | 2015-09-23 | — | — | EP | disclosed |
| WO-2014078813-A1 | COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES | IRM LLC (BM) | 2014-05-22 | — | — | WO | disclosed |