Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 7/20 | 0.51 |
| ▸ | DRD3 | P35462 | 5/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 6/20 | 0.46 |
| ▸ | HTR2A | P28223 | 5/20 | 0.46 |
| ▸ | HTR7 | P34969 | 5/20 | 0.46 |
| ▸ | DRD4 | P21917 | 3/20 | 0.46 |
| ▸ | DRD1 | P21728 | 1/20 | 0.46 |
| ▸ | DRD5 | P21918 | 1/20 | 0.46 |
| ▸ | HTR6 | P50406 | 3/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.45 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.45 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.45 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8417646 | 0.76 | SOAT1 (0.49) | HTR1ADRD3ALDH1A1TSHRDRD2 | |
| SCHEMBL8417626 | 0.75 | FAAH (0.51) | HTR1ADRD3ALDH1A1TSHRDRD2 | |
| SCHEMBL8418007 | 0.73 | HTR1A (0.54) | HTR1ADRD3ALDH1A1DRD2HTR2A | |
| SCHEMBL8419683 | 0.73 | PRKD3 (0.54) | HTR1ADRD3ALDH1A1TSHRDRD2 | |
| SCHEMBL8416338 | 0.73 | P2RX7 (0.63) | HTR1ADRD3DRD2HTR2AHTR7 | |
| SCHEMBL8418064 | 0.72 | HTR1A (0.59) | HTR1ADRD3DRD2HTR2AHTR7 | |
| SCHEMBL26108581 | 0.72 | HTR1A (0.65) | HTR1ADRD3ALDH1A1DRD2HTR2A | |
| SCHEMBL26492991 | 0.72 | HTR1A (0.65) | HTR1ADRD3ALDH1A1DRD2HTR2A | |
| SCHEMBL6562979 | 0.72 | ALDH1A1 (0.62) | ALDH1A1TSHR | |
| SCHEMBL10629294 | 0.71 | HTR1A (0.52) | HTR1ADRD3ALDH1A1DRD2HTR2A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0655248-B1 | Use of 1-4-4-aryl(or heteroaryl)-1-piperazinylbutyl-1H-azole derivatives for the preparation of medicaments for the treatment of disorders of gastric secretion | ESTEVE LABOR DR (ES) | 1999-09-15 | — | — | EP | claimed |
| US-5532234-A | Use of 1-[4-[4-aryl (or heteroaryl)-1-piperazinyl]-butyl)-1H-azole derivatives for the preparation of medicaments intended for the treatment of disorders of gastric secretion | LABORATORIES DEL DR. ESTEVE, S.A. (ES) | 1996-07-02 | — | — | US | claimed |
| EP-0502786-B1 | Process for the preparation of aryl(or heteroaryl)-piperazin-1-butyl-azole derivatives | ESTEVE LABOR DR (ES) | 1996-04-24 | — | — | EP | claimed |
| EP-0655248-A1 | Use of 1-4-4-aryl(or heteroaryl)-1-piperazinylbutyl-1H-azole derivatives for the preparation of medicaments for the treatment of disorders of gastric secretion | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 1995-05-31 | — | — | EP | claimed |
| EP-0502786-A1 | Process for the preparation of aryl(or heteroaryl)-piperazin-1-butyl-azole derivatives | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 1992-09-09 | — | — | EP | claimed |
| EP-0497659-A1 | Aryl(or Heteroaryl)-piperazinyl-alkyl-azole derivatives, their preparation and their application as drugs | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 1992-08-05 | — | — | EP | claimed |