Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.42 |
| ▸ | HTR1A | P08908 | 6/20 | 0.42 |
| ▸ | GRM2 | Q14416 | 3/20 | 0.40 |
| ▸ | DRD4 | P21917 | 2/20 | 0.40 |
| ▸ | DRD2 | P14416 | 2/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8418001 | 0.91 | SIGMAR1 (0.45) | SIGMAR1HTR1ADRD2HTR2ADRD3 | |
| SCHEMBL13532701 | 0.89 | SIGMAR1 (0.44) | SIGMAR1HTR1AGRM2DRD4DRD2 | |
| SCHEMBL13532685 | 0.88 | SIGMAR1 (0.41) | SIGMAR1HTR1ADRD2HTR2ADRD3 | |
| SCHEMBL13532674 | 0.87 | SIGMAR1 (0.57) | SIGMAR1HTR1ADRD2KDM4ECYP1A2 | |
| SCHEMBL8419573 | 0.86 | HTR1A (0.53) | SIGMAR1HTR1ADRD4DRD2HTR2A | |
| SCHEMBL13532676 | 0.81 | SIGMAR1 (0.56) | SIGMAR1HTR1ADRD2KDM4ECYP1A2 | |
| SCHEMBL8108166 | 0.81 | SIGMAR1 (0.41) | SIGMAR1HTR1ADRD2HTR2AKDM4E | |
| Lesopitron SCHEMBL246589 | 0.80 | HTR1A (0.52) | HTR1ADRD4DRD2HTR2AHTR7 | |
| Lesopitron SCHEMBL9201343 | 0.79 | HTR1A (0.51) | HTR1ADRD2HTR2ADRD3KDM4E | |
| Lesopitron SCHEMBL1822413 | 0.79 | HTR1A (0.51) | HTR1ADRD2HTR2ADRD3KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| 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 |