Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.53 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.53 |
| ▸ | NAMPT | P43490 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.46 |
| ▸ | FSCN1 | Q16658 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TAS2R8 | Q9NYW2 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL357618 | 0.85 | TSHR (0.53) | ROCK2ROCK1NAMPTTSHRMAPK1 | |
| SCHEMBL10224605 | 0.81 | SMN1; SMN2 (0.59) | ROCK2ROCK1SMN1; SMN2NPC1LMNA | |
| SCHEMBL358956 | 0.74 | NPC1 (0.65) | TSHRSMN1; SMN2L3MBTL1MAPTHTT | |
| SCHEMBL8368743 | 0.72 | ALDH1A1 (0.59) | NAMPTTSHRMAPK1SMN1; SMN2L3MBTL1 | |
| SCHEMBL3246062 | 0.71 | ROCK2 (0.70) | ROCK2ROCK1NAMPTSMN1; SMN2MAPT | |
| SCHEMBL23019288 | 0.71 | ROCK2 (0.63) | ROCK2ROCK1NAMPTTSHRMAPK1 | |
| SCHEMBL21535838 | 0.69 | MAPK1 (0.57) | ROCK2MAPK1SMN1; SMN2AURKBFSCN1 | |
| SCHEMBL18254911 | 0.69 | ROCK2 (1.00) | ROCK2ROCK1NAMPTSMN1; SMN2MAPT | |
| SCHEMBL18254912 | 0.69 | ROCK2 (0.73) | ROCK2ROCK1NAMPTMAPK1SMN1; SMN2 | |
| SCHEMBL26085052 | 0.68 | NPC1 (0.51) | ROCK2ROCK1NAMPTMAPK1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2013211-B1 | PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS | NOVARTIS AG (CH) | 2012-03-14 | — | — | EP | disclosed |