Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | HTR1A | P08908 | 3/20 | 0.55 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.55 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.55 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.55 |
| ▸ | DRD2 | P14416 | 3/20 | 0.53 |
| ▸ | DRD4 | P21917 | 2/20 | 0.53 |
| ▸ | DRD3 | P35462 | 1/20 | 0.53 |
| ▸ | HTR2A | P28223 | 1/20 | 0.51 |
| ▸ | HTR7 | P34969 | 1/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL3196223 | 0.95 | HTR1A (0.57) | CYP2D6HTR1AADRA1AADRA1BADRA1D | |
| SCHEMBL3196213 | 0.83 | DRD2 (0.57) | HTR1AADRA1AADRA1BADRA1DDRD2 | |
| SCHEMBL9118791 | 0.81 | DRD2 (0.56) | HTR1AADRA1AADRA1BADRA1DDRD2 | |
| SCHEMBL3088832 | 0.80 | DRD4 (0.54) | HTR1AADRA1AADRA1BADRA1DDRD2 | |
| SCHEMBL9559725 | 0.80 | KDM4E (0.68) | CYP2D6HTR1AADRA1AADRA1BADRA1D | |
| SCHEMBL8828353 | 0.80 | CYP2D6 (0.63) | CYP2D6HTR1AADRA1ADRD2DRD4 | |
| SCHEMBL7972648 | 0.80 | CYP2D6 (0.63) | CYP2D6SIGMAR1 | |
| SCHEMBL10836447 | 0.79 | DRD2 (0.73) | HTR1ADRD2DRD4HTR2AHTR7 | |
| SCHEMBL9118899 | 0.79 | DRD2 (0.54) | HTR1AADRA1AADRA1BADRA1DDRD2 | |
| SCHEMBL27466797 | 0.78 | CYP2D6 (0.61) | CYP2D6HTR1ADRD2DRD4DRD3 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6274583-B1 | Alpha 1a adrenergic receptor antagonists | MERCK & CO., INC. | 2001-08-14 | — | — | US | disclosed |
| US-5977115-A | Alpha 1a adrenergic receptor antagonists | MERCK & CO., INC. (US) | 1999-11-02 | — | — | US | disclosed |
| US-5688795-A | URINARY TRACTS OBSTRUCTION | SYNTEX (U.S.A.) INC. (US) | 1997-11-18 | — | — | US | disclosed |
| CN-1136039-A | [3- (4-phenylpiperazin-1-yl) propylamino, thio and oxy ] -pyridine, pyrimidine and benzene derivatives | HOFFMANN LA ROCHE (CH) | 1996-11-20 | — | — | CN | disclosed |
| EP-0711757-A1 | 3-(4-phenylpiperazin-1-yl)propyl-amino, thio and oxy -pyridine, pyrimidine and benzene derivatives as alpha1-adrenoceptor antagonists | F. Hoffmann-La Roche AG (CH) | 1996-05-15 | — | — | EP | disclosed |