Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 3/20 | 0.40 |
| ▸ | SMO | Q99835 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 4/20 | 0.38 |
| ▸ | DRD4 | P21917 | 4/20 | 0.38 |
| ▸ | DRD3 | P35462 | 4/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | USP7 | Q93009 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL2761009 | 0.91 | SMO (0.43) | ADORA2ASMOMAPTDRD2DRD4 | |
| SCHEMBL2761237 | 0.89 | SMO (0.43) | ADORA2ASMOMAPTDRD2DRD4 | |
| Hydrochloric Acid SCHEMBL1997589 | 0.88 | SMO (0.42) | ADORA2ASMOMAPTDRD2DRD4 | |
| SCHEMBL2761177 | 0.87 | DRD4 (0.42) | SMOMAPTDRD2DRD4DRD3 | |
| SCHEMBL2761137 | 0.86 | SMO (0.41) | SMOMAPTDRD2DRD4DRD3 | |
| SCHEMBL5228002 | 0.84 | TSHR (0.39) | SMOPTGS1MCHR1ALDH1A1SMN1; SMN2 | |
| SCHEMBL5224673 | 0.83 | SMO (0.40) | SMODRD2DRD4DRD3ALDH1A1 | |
| SCHEMBL5744201 | 0.81 | CHKA (0.41) | ADORA2ASMOMAPTDRD2DRD4 | |
| SCHEMBL5226032 | 0.81 | SMO (0.39) | SMODRD2DRD4DRD3PTGS1 | |
| SCHEMBL1995720 | 0.81 | SMO (0.38) | SMOMAPTDRD2DRD4DRD3 |
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-1611122-B1 | SUBSTITUTED PYRAZOLE COMPOUNDS | MERCK PATENT GMBH (DE) | 2007-06-13 | — | — | EP | disclosed |