Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 5/20 | 0.46 |
| ▸ | DRD3 | P35462 | 5/20 | 0.46 |
| ▸ | DRD2 | P14416 | 3/20 | 0.46 |
| ▸ | SMO | Q99835 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.38 |
| ▸ | FNTA | P49354 | 1/20 | 0.38 |
| ▸ | PGGT1B | P53609 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.37 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.37 |
| ▸ | MAP3K9 | P80192 | 1/20 | 0.37 |
| ▸ | MAP3K11 | Q16584 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5227774 | 0.99 | DRD3 (0.45) | DRD4DRD3DRD2SMOMAPT | |
| SCHEMBL5230174 | 0.91 | DRD4 (0.46) | DRD4DRD3DRD2SMOMAPT | |
| SCHEMBL5227445 | 0.89 | DRD4 (0.46) | DRD4DRD3DRD2SMOMAPT | |
| SCHEMBL5229642 | 0.88 | DRD2 (0.42) | DRD4DRD3DRD2SMOMAPT | |
| SCHEMBL5226907 | 0.87 | DRD4 (0.43) | DRD4DRD3DRD2SMOMAPT | |
| SCHEMBL5228024 | 0.82 | HTR2C (0.42) | DRD4DRD3DRD2SMOTP53 | |
| SCHEMBL5223970 | 0.79 | ADORA2A (0.40) | DRD4DRD3DRD2SMOMAPT | |
| SCHEMBL5225265 | 0.78 | SMO (0.59) | DRD4DRD3DRD2SMOMAPT | |
| SCHEMBL5226797 | 0.78 | SMO (0.61) | SMOMAPTALDH1A1L3MBTL1MAPK14 | |
| SCHEMBL5229662 | 0.77 | SMO (0.58) | DRD4SMOMAPTALDH1A1L3MBTL1 |
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 |