Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 4/20 | 0.44 |
| ▸ | DRD4 | P21917 | 2/20 | 0.40 |
| ▸ | DRD3 | P35462 | 2/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.40 |
| ▸ | SSTR5 | P35346 | 1/20 | 0.39 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.36 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1689504 | 0.92 | SMO (0.45) | SMODRD4DRD3DRD2MAP4K1 | |
| SCHEMBL5737789 | 0.89 | SMO (0.44) | SMODRD4DRD3DRD2SSTR5 | |
| SCHEMBL7256544 | 0.89 | DRD4 (0.44) | SMODRD4DRD3DRD2MAP4K1 | |
| SCHEMBL7261049 | 0.88 | CHKA (0.50) | SMODRD4DRD3DRD2SSTR5 | |
| SCHEMBL5228638 | 0.87 | DRD4 (0.41) | SMODRD4DRD3DRD2MAP4K1 | |
| SCHEMBL5227503 | 0.85 | DRD4 (0.42) | SMODRD4DRD3DRD2MAP4K1 | |
| SCHEMBL7261888 | 0.85 | ALDH1A1 (0.49) | SMODRD4DRD3DRD2SSTR5 | |
| SCHEMBL5232121 | 0.85 | DRD4 (0.39) | SMODRD4DRD3DRD2MAP4K1 | |
| SCHEMBL2761085 | 0.85 | DHODH (0.43) | SMODRD4DRD3DRD2MAP4K1 | |
| SCHEMBL5225912 | 0.85 | MAP4K1 (0.41) | SMODRD4DRD3DRD2MAP4K1 |
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 |