Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK8 | P49336 | 1/20 | 0.47 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.44 |
| ▸ | AKT1 | P31749 | 1/20 | 0.43 |
| ▸ | AKT2 | P31751 | 1/20 | 0.43 |
| ▸ | AKT3 | Q9Y243 | 1/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | GPR52 | Q9Y2T5 | 4/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.40 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.40 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.39 |
| ▸ | BRAF | P15056 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
| ▸ | TNNI3K | Q59H18 | 1/20 | 0.39 |
| ▸ | SNCA | P37840 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12901011 | 0.89 | SNCA (0.41) | CDK8AKT1AKT2AKT3ROCK2 | |
| SCHEMBL16687553 | 0.89 | BTK (0.40) | CDK8AKT1ROCK1GAAL3MBTL1 | |
| SCHEMBL12901008 | 0.87 | SMN1; SMN2 (0.48) | AKT3ALDH1A1GAAL3MBTL1SNCA | |
| SCHEMBL19371962 | 0.87 | TRPV1 (0.43) | CDK8TRPV1AKT1AKT2AKT3 | |
| SCHEMBL19390620 | 0.86 | RAB9A (0.43) | ROCK1ALDH1A1L3MBTL1JAK2JAK1 | |
| SCHEMBL12900654 | 0.85 | ROCK1 (0.47) | ROCK2ROCK1CNR1 | |
| SCHEMBL12900697 | 0.84 | HDAC2 (0.42) | JAK2JAK1 | |
| SCHEMBL12901013 | 0.83 | NPC1 (0.43) | AKT1AKT2AKT3ALDH1A1JAK2 | |
| SCHEMBL12901006 | 0.83 | HDAC2 (0.40) | AKT1AKT2ROCK2ROCK1ALDH1A1 | |
| SCHEMBL12900386 | 0.82 | SCN3A (0.40) | TRPV1AKT1AKT2AKT3ROCK2 |
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-2462141-B1 | NOVEL AZAHETEROCYCLIC COMPOUNDS | MERCK PATENT GMBH (DE) | 2017-09-27 | — | — | EP | disclosed |
| WO-2011017009-A1 | NOVEL AZAHETEROCYCLIC COMPOUNDS | MERCK PATENT GMBH (DE) | 2011-02-10 | — | — | WO | disclosed |