Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHB4 | P54760 | 1/20 | 0.46 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.40 |
| ▸ | SMO | Q99835 | 4/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | HTR7 | P34969 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | INSR | P06213 | 1/20 | 0.37 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 3/20 | 0.37 |
| ▸ | DRD3 | P35462 | 2/20 | 0.37 |
| ▸ | BMPR1B | O00238 | 2/20 | 0.37 |
| ▸ | ACVRL1 | P37023 | 2/20 | 0.37 |
| ▸ | ACVR1 | Q04771 | 2/20 | 0.37 |
| ▸ | ACVR1B | P36896 | 1/20 | 0.37 |
| ▸ | RIOK2 | Q9BVS4 | 1/20 | 0.37 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.36 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.36 |
| ▸ | CSF1R | P07333 | 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 | 0.88 | SMO (0.45) | SMOACHEHTR7DRD4DRD3 | |
| SCHEMBL5737789 | 0.86 | SMO (0.44) | SMOHTR7DRD4DRD3DRD2 | |
| SCHEMBL7256544 | 0.86 | DRD4 (0.44) | SMOACHEHTR7KDM1AMAOA | |
| SCHEMBL2761055 | 0.85 | ALDH1A1 (0.46) | SMOACHEHTR7DRD4DRD3 | |
| SCHEMBL5226508 | 0.85 | HTR7 (0.46) | SMOACHEHTR7DRD4DRD3 | |
| SCHEMBL5228638 | 0.85 | DRD4 (0.41) | SMOACHEDRD4DRD3DRD2 | |
| SCHEMBL5226314 | 0.84 | HTR7 (0.46) | SMOACHEHTR7DRD4DRD3 | |
| SCHEMBL2761085 | 0.84 | DHODH (0.43) | SMODRD4DRD3DRD2 | |
| SCHEMBL5224217 | 0.84 | SMO (0.44) | SMOACHEALKDRD4DRD3 | |
| SCHEMBL7261049 | 0.84 | CHKA (0.50) | SMOACHEDRD4DRD3DRD2 |
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 |