Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 4/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.38 |
| ▸ | DRD4 | P21917 | 3/20 | 0.38 |
| ▸ | DRD2 | P14416 | 3/20 | 0.38 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.38 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | PRCP | P42785 | 1/20 | 0.38 |
| ▸ | EBP | Q15125 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.37 |
| ▸ | DRD5 | P21918 | 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 | |
|---|---|---|---|---|
| SCHEMBL20233050 | 1.00 | BCHE (0.43) | BCHEALDH1A1DRD3SIGMAR1DRD4 | |
| SCHEMBL13036991 | 1.00 | BCHE (0.43) | BCHEALDH1A1DRD3SIGMAR1DRD4 | |
| SCHEMBL30411713 | 0.89 | ACHE (0.42) | BCHEDRD3SIGMAR1DRD4DRD2 | |
| SCHEMBL12718221 | 0.84 | DRD4 (0.50) | BCHEDRD3SIGMAR1DRD4DRD2 | |
| SCHEMBL12718206 | 0.84 | DRD4 (0.50) | BCHEDRD3SIGMAR1DRD4DRD2 | |
| SCHEMBL3431959 | 0.84 | CYP2D6 (0.47) | ALDH1A1CARM1PRMT6 | |
| SCHEMBL10077156 | 0.84 | DRD4 (0.50) | BCHEDRD3SIGMAR1DRD4DRD2 | |
| SCHEMBL17277355 | 0.83 | KDM4E (0.39) | BCHEALDH1A1 | |
| Fluoride SCHEMBL30329860 | 0.82 | DRD4 (0.49) | BCHEDRD3SIGMAR1DRD4DRD2 | |
| SCHEMBL14012777 | 0.81 | ACHE (0.40) | BCHEALDH1A1CARM1PRMT6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011058149-A1 | TRICYCLIC PYRAZOL AMINE DERIVATIVES | MERCK SERONO S.A. (CH) | 2011-05-19 | — | — | WO | disclosed |