Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 7/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | DRD3 | P35462 | 5/20 | 0.50 |
| ▸ | DRD2 | P14416 | 4/20 | 0.50 |
| ▸ | HTR2A | P28223 | 4/20 | 0.50 |
| ▸ | DRD1 | P21728 | 2/20 | 0.50 |
| ▸ | DRD5 | P21918 | 1/20 | 0.50 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.49 |
| ▸ | ESR1 | P03372 | 1/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.48 |
| ▸ | DRD4 | P21917 | 2/20 | 0.47 |
| ▸ | HTR7 | P34969 | 2/20 | 0.47 |
| ▸ | KDM1A | O60341 | 1/20 | 0.47 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7095574 | 0.82 | ESR1 (0.68) | ALDH1A1TSHRP2RX7ESR1CYP2C19 | |
| SCHEMBL8419622 | 0.81 | P2RX7 (0.60) | HTR1AALDH1A1DRD3DRD2HTR2A | |
| SCHEMBL8419683 | 0.78 | PRKD3 (0.54) | HTR1AALDH1A1TSHRDRD3DRD2 | |
| SCHEMBL8419620 | 0.77 | HTR1A (0.51) | HTR1ADRD3DRD2HTR2ADRD1 | |
| SCHEMBL26492991 | 0.77 | HTR1A (0.65) | HTR1AALDH1A1DRD3DRD2HTR2A | |
| SCHEMBL26108581 | 0.77 | HTR1A (0.65) | HTR1AALDH1A1DRD3DRD2HTR2A | |
| SCHEMBL5847869 | 0.77 | SIGMAR1 (0.54) | ALDH1A1DRD2P2RX7ESR1 | |
| SCHEMBL462620 | 0.76 | ESR1 (0.60) | ALDH1A1TSHRP2RX7ESR1CYP2C19 | |
| SCHEMBL5846853 | 0.76 | SIGMAR1 (0.59) | HTR1ADRD3DRD2ESR1DRD4 | |
| Hydrochloric Acid SCHEMBL5847600 | 0.76 | MAOA (0.50) | TSHRP2RX7ESR1CYP2C19 |
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 9 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 |
| EP-0808166-A1 | MEDICAMENT INTENDED TO THE TREATMENT OF OBSESSIVE COMPULSIVE TROUBLES, SLEEP APNOEA, SEXUAL DYSFUNCTIONS, EMESA AND TRANSPORT SICKNESS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 1997-11-26 | — | — | EP | claimed |
| WO-1997021439-A1 | MEDICAMENT INTENDED TO THE TREATMENT OF OBSESSIVE COMPULSIVE TROUBLES, SLEEP APNOEA, SEXUAL DYSFUNCTIONS, EMESA AND TRANSPORT SICKNESS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 1997-06-19 | — | — | WO | 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-0808166-A1 | MEDICAMENT INTENDED TO THE TREATMENT OF OBSESSIVE COMPULSIVE TROUBLES, SLEEP APNOEA, SEXUAL DYSFUNCTIONS, EMESA AND TRANSPORT SICKNESS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 1997-11-26 | — | — | EP | disclosed |
| WO-1997021439-A1 | MEDICAMENT INTENDED TO THE TREATMENT OF OBSESSIVE COMPULSIVE TROUBLES, SLEEP APNOEA, SEXUAL DYSFUNCTIONS, EMESA AND TRANSPORT SICKNESS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 1997-06-19 | — | — | WO | disclosed |