Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.40 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.36 |
| ▸ | TLR7 | Q9NYK1 | 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 | |
|---|---|---|---|---|
| SCHEMBL2761177 | 0.88 | DRD4 (0.42) | SMOMAPTDRD4DRD3TP53 | |
| SCHEMBL5224302 | 0.87 | SMO (0.49) | SMOMAPTNPBWR1MCHR1TP53 | |
| SCHEMBL5232263 | 0.87 | SMO (0.49) | SMOMAPTNPBWR1MCHR1TP53 | |
| SCHEMBL5226663 | 0.84 | KMT2A (0.44) | DRD4DRD3TP53KDM4EALDH1A1 | |
| SCHEMBL5226986 | 0.84 | DRD4 (0.39) | SMOMAPTDRD4DRD3MCHR1 | |
| SCHEMBL5230456 | 0.84 | SMO (0.46) | SMOMAPTNPBWR1MCHR1TP53 | |
| SCHEMBL5225260 | 0.84 | KMT2A (0.39) | DRD4DRD3TP53KDM4EALDH1A1 | |
| SCHEMBL5228505 | 0.83 | F10 (0.48) | — | |
| SCHEMBL5226667 | 0.80 | DRD4 (0.39) | SMODRD4DRD3KDM4EHRH3 | |
| SCHEMBL2761078 | 0.78 | DRD4 (0.40) | MAPTDRD4DRD3TP53KDM4E |
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 |