Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 3/20 | 0.41 |
| ▸ | HTR6 | P50406 | 3/20 | 0.41 |
| ▸ | DRD3 | P35462 | 2/20 | 0.41 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.41 |
| ▸ | HTR3B | O95264 | 1/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HTR3A | P46098 | 1/20 | 0.41 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.41 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | BRPF1 | P55201 | 2/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | BRD1 | O95696 | 1/20 | 0.39 |
| ▸ | BRPF3 | Q9ULD4 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 2/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9527382 | 0.80 | HTR6 (0.48) | DRD2HTR6DRD3HTR3EHTR3B | |
| SCHEMBL9842327 | 0.80 | HTR6 (0.41) | DRD2HTR6DRD3HTR3EHTR3B | |
| SCHEMBL8876218 | 0.79 | DRD2 (0.47) | DRD2DRD3DRD4HTR1A | |
| SCHEMBL9842266 | 0.79 | SLC6A4 (0.41) | ADRB1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL5915120 | 0.78 | DRD2 (0.52) | DRD2HTR6DRD3HTR3EHTR3B | |
| SCHEMBL8690005 | 0.76 | HTR1D (0.62) | HTR1A | |
| SCHEMBL6778777 | 0.73 | DRD2 (0.47) | DRD2HTR6DRD3HTR3EHTR3B | |
| SCHEMBL9842029 | 0.72 | CA1 (0.40) | CYP2C19SIGMAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL9842210 | 0.71 | OPRD1 (0.38) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1074634 | 0.71 | HTR6 (0.50) | DRD2HTR6DRD3HTR3EHTR3B |
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-0461264-A1 | ETHYNYLPHENYL DERIVATIVE, PRODUCTION THEREOF, AND REMEDY FOR DISEASES OF CIRCULATORY ORGANS CONTAINING THE SAME AS ACTIVE INGREDIENT | KAKEN PHARMACEUTICAL CO., LTD. (JP) | 1991-12-18 | — | — | EP | disclosed |