Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 3/20 | 0.44 |
| ▸ | DRD4 | P21917 | 4/20 | 0.43 |
| ▸ | DRD2 | P14416 | 3/20 | 0.43 |
| ▸ | DRD3 | P35462 | 3/20 | 0.43 |
| ▸ | HRH2 | P25021 | 2/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | HTR7 | P34969 | 5/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.38 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5226314 | 0.93 | HTR7 (0.46) | SMODRD4DRD2DRD3HRH2 | |
| SCHEMBL7261026 | 0.92 | SMO (0.41) | SMODRD4DRD2DRD3ACHE | |
| SCHEMBL5226508 | 0.85 | HTR7 (0.46) | SMODRD4DRD2DRD3HRH2 | |
| SCHEMBL2761055 | 0.85 | ALDH1A1 (0.46) | SMODRD4DRD2DRD3HRH2 | |
| SCHEMBL5737789 | 0.84 | SMO (0.44) | SMODRD4DRD2DRD3HTR7 | |
| SCHEMBL7256544 | 0.84 | DRD4 (0.44) | SMODRD4DRD2DRD3HTR7 | |
| SCHEMBL5226032 | 0.82 | SMO (0.39) | SMODRD4DRD2DRD3ALDH1A1 | |
| SCHEMBL2761085 | 0.81 | DHODH (0.43) | SMODRD4DRD2DRD3KDM4E | |
| SCHEMBL5224925 | 0.81 | EPHB4 (0.46) | SMODRD4DRD2DRD3HTR7 | |
| SCHEMBL1689504 | 0.81 | SMO (0.45) | SMODRD4DRD2DRD3HTR7 |
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 |