Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | SMO | Q99835 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.35 |
| ▸ | ALPL | P05186 | 1/20 | 0.34 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
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 | 0.92 | DRD4 (0.42) | DRD4DRD3POLBALDH1A1SMO | |
| SCHEMBL5229287 | 0.87 | EGFR (0.40) | ALDH1A1SMOALPLCXCR3KDM4E | |
| SCHEMBL5226613 | 0.87 | SMO (0.40) | DRD4DRD3POLBALDH1A1SMO | |
| SCHEMBL5224673 | 0.87 | SMO (0.40) | DRD4DRD3ALDH1A1SMOALPL | |
| SCHEMBL5226663 | 0.86 | KMT2A (0.44) | DRD4DRD3POLBALDH1A1TP53 | |
| SCHEMBL5225260 | 0.86 | KMT2A (0.39) | DRD4DRD3POLBALDH1A1TP53 | |
| SCHEMBL5224744 | 0.85 | HTR1A (0.38) | ALDH1A1SMOALPLKDM4ELMNA | |
| SCHEMBL5226484 | 0.84 | SMO (0.45) | DRD4DRD3ALDH1A1SMOTP53 | |
| SCHEMBL2761078 | 0.84 | DRD4 (0.40) | DRD4DRD3POLBALDH1A1TP53 | |
| SCHEMBL5228047 | 0.84 | HTR2C (0.37) | DRD4ALDH1A1MCHR1ALPLCXCR3 |
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 |