Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 14/20 | 0.56 |
| ▸ | DRD4 | P21917 | 3/20 | 0.56 |
| ▸ | DRD3 | P35462 | 3/20 | 0.56 |
| ▸ | DRD5 | P21918 | 2/20 | 0.56 |
| ▸ | HTR1A | P08908 | 12/20 | 0.55 |
| ▸ | HTR2A | P28223 | 12/20 | 0.55 |
| ▸ | HTR7 | P34969 | 12/20 | 0.55 |
| ▸ | HTR6 | P50406 | 12/20 | 0.55 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.53 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.53 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.53 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL8806365 | 0.82 | HTR1A (0.52) | DRD3HTR1AHTR7ADRA1DADRA1A | |
| SCHEMBL8806369 | 0.72 | ADRA1D (0.50) | DRD2HTR2AADRA1DADRA1AADRA1B | |
| SCHEMBL1789621 | 0.71 | DRD2 (0.56) | DRD2HTR2AADRA1DADRA1AADRA1B | |
| SCHEMBL8010281 | 0.71 | DRD2 (0.74) | DRD2HTR2AADRA1DADRA1AADRA1B | |
| SCHEMBL6446826 | 0.70 | OPRM1 (0.53) | DRD2DRD4DRD3DRD5HTR1A | |
| SCHEMBL2743253 | 0.70 | KMT2A (0.49) | DRD2HTR2AADRA1DADRA1AADRA1B | |
| Hydrochloric Acid SCHEMBL11545655 | 0.70 | DRD2 (0.54) | DRD2HTR2AADRA1DADRA1AADRA1B | |
| SCHEMBL11061835 | 0.70 | DRD2 (0.52) | DRD2DRD4DRD3DRD5HTR1A | |
| Ipsapirone SCHEMBL79574 | 0.70 | DRD2 (1.00) | DRD2DRD4DRD3DRD5HTR1A | |
| Ipsapirone SCHEMBL29356316 | 0.70 | DRD2 (1.00) | DRD2DRD4DRD3DRD5HTR1A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |