Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K1 | Q92918 | 4/20 | 0.41 |
| ▸ | SMO | Q99835 | 4/20 | 0.40 |
| ▸ | DRD4 | P21917 | 2/20 | 0.40 |
| ▸ | DRD3 | P35462 | 2/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | JAK1 | P23458 | 1/20 | 0.40 |
| ▸ | TYK2 | P29597 | 1/20 | 0.40 |
| ▸ | JAK3 | P52333 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | SSTR5 | P35346 | 1/20 | 0.39 |
| ▸ | CHKA | P35790 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | F10 | P00742 | 1/20 | 0.36 |
| ▸ | STAT1 | P42224 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2761085 | 0.90 | DHODH (0.43) | MAP4K1SMODRD4DRD3DRD2 | |
| SCHEMBL1689504 | 0.90 | SMO (0.45) | MAP4K1SMODRD4DRD3DRD2 | |
| SCHEMBL5737789 | 0.89 | SMO (0.44) | SMODRD4DRD3DRD2ALDH1A1 | |
| SCHEMBL7256544 | 0.89 | DRD4 (0.44) | MAP4K1SMODRD4DRD3DRD2 | |
| SCHEMBL2761055 | 0.88 | ALDH1A1 (0.46) | MAP4K1SMODRD4DRD3DRD2 | |
| SCHEMBL5228638 | 0.87 | DRD4 (0.41) | MAP4K1SMODRD4DRD3DRD2 | |
| SCHEMBL7261049 | 0.86 | CHKA (0.50) | SMODRD4DRD3DRD2ALDH1A1 | |
| SCHEMBL5226508 | 0.86 | HTR7 (0.46) | MAP4K1SMODRD4DRD3DRD2 | |
| SCHEMBL2761054 | 0.86 | MAPT (0.43) | DRD4DRD3ALDH1A1SSTR5 | |
| SCHEMBL7261026 | 0.85 | SMO (0.41) | MAP4K1SMODRD4DRD3DRD2 |
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 |