Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 2/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | JAK1 | P23458 | 1/20 | 0.39 |
| ▸ | TYK2 | P29597 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 5/20 | 0.38 |
| ▸ | NPC1 | O15118 | 4/20 | 0.38 |
| ▸ | NAMPT | P43490 | 1/20 | 0.37 |
| ▸ | TNNI3K | Q59H18 | 1/20 | 0.36 |
| ▸ | CDK8 | P49336 | 2/20 | 0.36 |
| ▸ | NEK1 | Q96PY6 | 1/20 | 0.36 |
| ▸ | AKT1 | P31749 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | USP28 | Q96RU2 | 2/20 | 0.34 |
| ▸ | USP25 | Q9UHP3 | 2/20 | 0.34 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.34 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL12901011 | 0.91 | SNCA (0.41) | BTKJAK2JAK1TYK2NPC1 | |
| SCHEMBL12901008 | 0.89 | SMN1; SMN2 (0.48) | BTKJAK2JAK1TYK2RAB9A | |
| SCHEMBL19390620 | 0.89 | RAB9A (0.43) | BTKJAK2JAK1TYK2RAB9A | |
| SCHEMBL12901005 | 0.89 | CDK8 (0.47) | JAK2JAK1TNNI3KCDK8AKT1 | |
| SCHEMBL12900654 | 0.88 | ROCK1 (0.47) | RAB9ANAMPTROCK1ADORA2AADORA2B | |
| SCHEMBL12900697 | 0.86 | HDAC2 (0.42) | JAK2JAK1TYK2RAB9ANPC1 | |
| SCHEMBL12901013 | 0.85 | NPC1 (0.43) | JAK2JAK1TYK2RAB9ANPC1 | |
| SCHEMBL12901006 | 0.85 | HDAC2 (0.40) | JAK2JAK1TYK2RAB9ANPC1 | |
| SCHEMBL19390444 | 0.83 | MAPT (0.46) | JAK2JAK1TYK2RAB9ANPC1 | |
| SCHEMBL12900374 | 0.83 | AKT1 (0.39) | JAK2JAK1TYK2RAB9ANPC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9023847-B2 | Azaheterocyclic compounds | MERCK PATENT GMBH (DE) | 2015-05-05 | — | — | US | disclosed |