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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL15971260 | 0.91 | SMN1; SMN2 (0.38) | SMN1; SMN2NPSR1KEAP1PDK1 | |
| SCHEMBL1694008 | 0.71 | ALDH1A1 (0.44) | SMN1; SMN2 | |
| SCHEMBL795484 | 0.70 | SCN4A (0.40) | — | |
| SCHEMBL31194797 | 0.68 | NMT1 (0.35) | — | |
| SCHEMBL2247852 | 0.68 | ALDH1A1 (0.39) | SMN1; SMN2 | |
| SCHEMBL15935300 | 0.67 | EGFR (0.31) | — | |
| Piperazine SCHEMBL798274 | 0.67 | PI4KA (0.32) | — | |
| SCHEMBL5958154 | 0.64 | EGFR (0.33) | — | |
| SCHEMBL3235816 | 0.64 | EGFR (0.33) | — | |
| SCHEMBL9072335 | 0.64 | EGFR (0.37) | SMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2616077-A1 | ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES | Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) | 2013-07-24 | — | — | EP | disclosed |
| WO-2012035423-A1 | ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES | KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) | 2012-03-22 | — | — | WO | disclosed |