Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Piperazine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.47 |
| ▸ | CHRNB2 | P17787 | 4/20 | 0.46 |
| ▸ | CHRNA7 | P36544 | 4/20 | 0.46 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.46 |
| ▸ | CHRNB4 | P30926 | 3/20 | 0.46 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | APEX1 | P27695 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL60741 | 0.88 | — | — | |
| SCHEMBL27288630 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL4706810 | 0.86 | — | — | |
| SCHEMBL29126781 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL31367891 | 0.86 | CES2 (0.62) | CES2CES1ALDH1A1HTTNPSR1 | |
| Hydrogen Sulfide SCHEMBL28650892 | 0.86 | — | — | |
| SCHEMBL27776787 | 0.84 | CES2 (0.60) | CES2CES1ALDH1A1HTTNPSR1 | |
| Thiazolidine SCHEMBL28442129 | 0.82 | CES2 (0.42) | CES2CES1ALDH1A1HTTNPSR1 | |
| Oxalic Acid SCHEMBL6090643 | 0.82 | PTPN1 (0.63) | CES2CES1ALDH1A1HTTNPSR1 | |
| Formic Acid SCHEMBL28853289 | 0.80 | CES2 (0.56) | CES2CES1ALDH1A1HTTNPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8309713-B2 | Process for the preparation of 6-α,9-α-difluoro-17-α-((2-furanylcarbonyl)oxy)-11-β-hydroxy-16-α-methy1-3-oxo-androsta-1,4-diene-17-β- -carbothioic acid S-fluoromethyl | GLAXO GROUP LIMITED (GB) | 2012-11-13 | — | — | US | disclosed |
| EP-2044098-B1 | PROCESS FOR THE PREPARATION OF 6-ALPHA ,9-ALPHA-DIFLUORO-17-ALPHA - ((2-FURANYLCARBONYL)OXY)-11-BETA -HYDROXY-16-ALPHA -METHYL-3-OXO-ANDROSTA-1,4-DIENE-17-BETA- -CARBOTHIOIC ACID S-FLUOROMETHYL ESTER | GLAXO GROUP LTD (GB) | 2012-02-22 | — | — | EP | disclosed |
| US-20090118495-A1 | Process for the Preparation of 6-alpha,9-alpha-difluoro-17-alpha-((2-furanylcarbonyl)oxy)-11-beta-hydroxy-16-alpha-methyl-3-oxo-androsta-1,4-diene-17-beta- -carbothioic acid S-fluoromethyl | GLAXO GROUP LIMITED (GB) | 2009-05-07 | — | — | US | disclosed |
| EP-2044098-A2 | PROCESS FOR THE PREPARATION OF 6-ALPHA ,9-ALPHA-DIFLUORO-17-ALPHA - ((2-FURANYLCARBONYL)OXY)-11-BETA -HYDROXY-16-ALPHA -METHYL-3-OXO-ANDROSTA-1,4-DIENE-17-BETA- -CARBOTHIOIC ACID S-FLUOROMETHYL ESTER | Glaxo Group Limited (GB) | 2009-04-08 | — | — | EP | disclosed |
| WO-2007144363-A2 | PROCESS FOR THE PREPARATION OF 6-ALPHA, 9-ALPHA-DIFLUORO-17-ALPHA - ((2-FURANYLCARBONYL)OXY)-11-BETA -HYDROXY-16-ALPHA -METHYL-S-OXO-ANDROSTA-1,4-DIENE-17-BETA- -CARBOTHIOIC ACID S-FLUOROMETHYL | GLAXO GROUP LIMITED (GB) | 2007-12-21 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20090118495-A1 | Process for the Preparation of 6-alpha,9-alpha-difluoro-17-alpha-((2-furanylcarbonyl)oxy)-11-beta-hydroxy-16-alpha-methyl-3-oxo-androsta-1,4-diene-17-beta- -carbothioic acid S-fluoromethyl | CYP17A1, HSD17B11, HSD17B7 | CES2 2623/4885CES1 1051/4885ALDH1A1 205/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.