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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 3/20 | 0.59 |
| ▸ | GNAO1 | P09471 | 7/20 | 0.52 |
| ▸ | GNAI3 | P08754 | 6/20 | 0.52 |
| ▸ | GNAI1 | P63096 | 6/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | SOD3 | P08294 | 2/20 | 0.44 |
| ▸ | HRH2 | P25021 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 1/20 | 0.43 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.41 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6744648 | 1.00 | CXCR4 (0.59) | CXCR4GNAO1GNAI3GNAI1SIGMAR1 | |
| SCHEMBL19169974 | 1.00 | CXCR4 (0.59) | CXCR4GNAO1GNAI3GNAI1SIGMAR1 | |
| SCHEMBL21299356 | 1.00 | CXCR4 (0.59) | CXCR4GNAO1GNAI3GNAI1SIGMAR1 | |
| SCHEMBL8038174 | 0.98 | CXCR4 (0.56) | CXCR4GNAO1GNAI3GNAI1SIGMAR1 | |
| SCHEMBL160891 | 0.98 | CXCR4 (0.56) | CXCR4GNAO1GNAI3GNAI1SIGMAR1 | |
| Hydrochloric Acid SCHEMBL27894273 | 0.95 | GNAO1 (0.56) | CXCR4GNAO1GNAI3GNAI1SIGMAR1 | |
| Hydrochloric Acid SCHEMBL4390905 | 0.95 | GNAO1 (0.56) | CXCR4GNAO1GNAI3GNAI1SIGMAR1 | |
| Ammonia Solution, Strong SCHEMBL3391596 | 0.95 | CXCR4 (0.54) | CXCR4GNAO1GNAI3GNAI1SIGMAR1 | |
| Piperazine SCHEMBL5792813 | 0.93 | CXCR4 (0.61) | CXCR4GNAO1GNAI3GNAI1SIGMAR1 | |
| SCHEMBL15656630 | 0.93 | CXCR4 (0.55) | CXCR4GNAO1GNAI3GNAI1SIGMAR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105143202-B | Dithiocarboxylic acid esters having spermicidal activity and process for their preparation | 科学与工业研究委员会 | 2018-08-14 | — | — | CN | disclosed |