Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 10/20 | 0.48 |
| ▸ | ADRA1B | P35368 | 10/20 | 0.48 |
| ▸ | ADRA1D | P25100 | 9/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | HTR7 | P34969 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.42 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.42 |
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 SCHEMBL5802098 | 0.99 | ADRA1A (0.47) | ADRA1AADRA1BADRA1DCYP2C9CYP2C19 | |
| SCHEMBL5801012 | 0.86 | DRD2 (0.53) | ADRA1AADRA1BADRA1DCYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL5800862 | 0.85 | DRD2 (0.52) | ADRA1AADRA1BADRA1DCYP2C9CYP2C19 | |
| SCHEMBL5157991 | 0.84 | ADRA1A (0.62) | ADRA1AADRA1BADRA1DCYP2C9CYP2C19 | |
| SCHEMBL5800584 | 0.83 | HTR1A (0.62) | ADRA1AADRA1BADRA1DCYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL6210660 | 0.82 | HTR1A (0.50) | ADRA1AADRA1BADRA1DHTR1AHTR7 | |
| Hydrochloric Acid SCHEMBL5801035 | 0.82 | HTR1A (0.61) | ADRA1AADRA1BADRA1DCYP2C9CYP2C19 | |
| SCHEMBL5801216 | 0.81 | ADRA1A (0.57) | ADRA1AADRA1BADRA1DHTR1A | |
| Hydrochloric Acid SCHEMBL5802232 | 0.80 | ADRA1A (0.56) | ADRA1AADRA1BADRA1DHTR1A | |
| SCHEMBL5801015 | 0.80 | HTR1A (0.44) | ADRA1AADRA1BADRA1DCYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-1611131-A1 | PYRAZOLOPYRIDINE DERIVATES | J. Uriach y Compagnia S.A. (ES) | 2006-01-04 | — | — | EP | disclosed |
| WO-2004076450-A1 | PYRAZOLOPYRIDINE DERIVATES | J. Uriach Y Compañia S.A. (ES) | 2004-09-10 | — | — | WO | disclosed |