Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 5/20 | 0.53 |
| ▸ | DRD4 | P21917 | 3/20 | 0.53 |
| ▸ | DRD3 | P35462 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.49 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.49 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.49 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.49 |
| ▸ | HTR1A | P08908 | 3/20 | 0.48 |
| ▸ | HTR7 | P34969 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | HTR2A | P28223 | 2/20 | 0.48 |
| ▸ | HTR6 | P50406 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5800862 | 0.99 | DRD2 (0.52) | DRD2DRD4DRD3ALDH1A1HSD17B10 | |
| SCHEMBL5800584 | 0.88 | HTR1A (0.62) | DRD2ADRA1DADRA1AADRA1BHTR1A | |
| Hydrochloric Acid SCHEMBL5801035 | 0.87 | HTR1A (0.61) | DRD2ALDH1A1ADRA1DADRA1AADRA1B | |
| SCHEMBL5801052 | 0.86 | ADRA1A (0.48) | ADRA1DADRA1AADRA1BHTR1AHTR7 | |
| SCHEMBL5801216 | 0.85 | ADRA1A (0.57) | ADRA1DADRA1AADRA1BHTR1A | |
| Hydrochloric Acid SCHEMBL5802098 | 0.85 | ADRA1A (0.47) | ADRA1DADRA1AADRA1BHTR1AHTR7 | |
| Hydrochloric Acid SCHEMBL5802232 | 0.84 | ADRA1A (0.56) | ADRA1DADRA1AADRA1BHTR1A | |
| SCHEMBL5801015 | 0.82 | HTR1A (0.44) | ALDH1A1ADRA1DADRA1AADRA1BHTR1A | |
| SCHEMBL5592274 | 0.82 | HTR1A (0.69) | DRD2DRD4DRD3ALDH1A1HSD17B10 | |
| Hydrochloric Acid SCHEMBL5803588 | 0.81 | ALDH1A1 (0.46) | ALDH1A1ADRA1DADRA1AADRA1BHTR1A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006051399-A1 | PIPERAZINE DERIVATIVES USEFUL AS ADRENERGIC RECEPTOR ANTAGONISTS | RANBAXY LABORATORIES LIMITED (IN) | 2006-05-18 | — | — | WO | claimed |
| WO-2006051399-A1 | PIPERAZINE DERIVATIVES USEFUL AS ADRENERGIC RECEPTOR ANTAGONISTS | RANBAXY LABORATORIES LIMITED (IN) | 2006-05-18 | — | — | WO | disclosed |