Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 5/20 | 0.52 |
| ▸ | MCHR1 | Q99705 | 3/20 | 0.49 |
| ▸ | JAK3 | P52333 | 2/20 | 0.47 |
| ▸ | PRKAA2 | P54646 | 2/20 | 0.47 |
| ▸ | JAK2 | O60674 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | JAK1 | P23458 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.46 |
| ▸ | CCR2 | P41597 | 1/20 | 0.45 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL2425776 | 0.83 | ROCK2 (0.56) | ROCK2JAK3JAK2DRD4DRD3 | |
| SCHEMBL5631821 | 0.75 | ACHE (0.60) | ROCK2CYP3A4DRD4DRD3CCR2 | |
| SCHEMBL3311559 | 0.74 | DRD4 (0.56) | ROCK2DRD4CCR2ROCK1LMNA | |
| SCHEMBL4237535 | 0.74 | THRB (0.65) | ROCK2PRKAA2CCR2ROCK1KDM4E | |
| SCHEMBL14014430 | 0.74 | MCHR1 (0.52) | MCHR1 | |
| SCHEMBL1717462 | 0.73 | ROCK2 (0.80) | ROCK2CCR2ROCK1 | |
| SCHEMBL11465989 | 0.71 | SIGMAR1 (0.62) | ROCK2DRD4DRD3ALDH1A1MAPK1 | |
| SCHEMBL23251886 | 0.70 | CHRNB2 (0.62) | ROCK2DRD4ALDH1A1ROCK1LMNA | |
| SCHEMBL4623213 | 0.70 | CHRNB2 (0.62) | ROCK2DRD4ALDH1A1ROCK1LMNA | |
| Hydrochloric Acid SCHEMBL20553070 | 0.69 | CHRNB2 (0.60) | ROCK2DRD4ALDH1A1ROCK1LMNA |
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-1339684-B1 | MCH ANTAGONISTS AND THEIR USE IN THE TREATMENT OF OBESITY | SCHERING CORP (US) | 2009-11-04 | — | — | EP | disclosed |