Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1D | P25100 | 18/20 | 0.77 |
| ▸ | ADRA1A | P35348 | 18/20 | 0.77 |
| ▸ | ADRA1B | P35368 | 18/20 | 0.77 |
| ▸ | HTR1A | P08908 | 2/20 | 0.57 |
| ▸ | DRD2 | P14416 | 2/20 | 0.57 |
| ▸ | HTR2A | P28223 | 2/20 | 0.57 |
| ▸ | HTR7 | P34969 | 2/20 | 0.57 |
| ▸ | HTR6 | P50406 | 2/20 | 0.57 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.57 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.57 |
| ▸ | DRD4 | P21917 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | DRD3 | P35462 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL8666853 | 0.87 | ADRA1D (1.00) | ADRA1DADRA1AADRA1BDRD2HTR2A | |
| SCHEMBL8666147 | 0.86 | ADRA1D (0.75) | ADRA1DADRA1AADRA1BHTR1ADRD2 | |
| SCHEMBL8669938 | 0.82 | ADRA1D (1.00) | ADRA1DADRA1AADRA1BDRD2DRD4 | |
| SCHEMBL8674331 | 0.80 | ADRA1D (0.80) | ADRA1DADRA1AADRA1BHTR1ADRD2 | |
| SCHEMBL8670191 | 0.80 | ADRA1D (1.00) | ADRA1DADRA1AADRA1BHTR1ADRD2 | |
| SCHEMBL8672562 | 0.80 | ADRA1D (1.00) | ADRA1DADRA1AADRA1BDRD2DRD4 | |
| SCHEMBL8804243 | 0.80 | ADRA1D (0.74) | ADRA1DADRA1AADRA1BHTR1ADRD2 | |
| SCHEMBL8674154 | 0.80 | ADRA1D (1.00) | ADRA1DADRA1AADRA1BDRD2DRD4 | |
| SCHEMBL8667634 | 0.80 | ADRA1D (0.82) | ADRA1DADRA1AADRA1BHTR1ADRD2 | |
| SCHEMBL8814007 | 0.79 | ADRA1D (1.00) | ADRA1DADRA1AADRA1BHTR2AHTR7 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5760054-A | BENIGN PROSTATIC HYPERTROPHY | MERCK & CO., INC. (US) | 1998-06-02 | — | — | US | disclosed |
| EP-0755392-A4 | ALPHA1C ADRENERGIC RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 1997-05-02 | — | — | EP | disclosed |
| EP-0755392-A1 | ALPHA1C ADRENERGIC RECEPTOR ANTAGONISTS | MERCK & CO. INC. (US) | 1997-01-29 | — | — | EP | disclosed |
| WO-1995028397-A1 | ALPHA1C ADRENERGIC RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1995-10-26 | — | — | WO | disclosed |