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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 19/20 | 0.53 |
| ▸ | CASP1 | P29466 | 18/20 | 0.53 |
| ▸ | CASP7 | P55210 | 18/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 18/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 17/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 17/20 | 0.53 |
| ▸ | USP2 | O75604 | 15/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 14/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 10/20 | 0.53 |
| ▸ | TP53 | P04637 | 9/20 | 0.53 |
| ▸ | LMNA | P02545 | 8/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 7/20 | 0.53 |
| ▸ | TSHR | P16473 | 5/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 15/20 | 0.52 |
| ▸ | GLA | P06280 | 5/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.51 |
| ▸ | HPGD | P15428 | 5/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4112334 | 0.99 | ALDH1A1 (0.54) | ALDH1A1CASP1CASP7CYP1A2CYP3A4 | |
| Methylpiperazine SCHEMBL6016623 | 0.90 | ALDH1A1 (0.48) | ALDH1A1CASP1CASP7CYP1A2CYP3A4 | |
| SCHEMBL6016398 | 0.88 | ALDH1A1 (0.55) | ALDH1A1CASP1CASP7CYP1A2CYP3A4 | |
| SCHEMBL4112958 | 0.84 | ALDH1A1 (0.53) | ALDH1A1CASP1CASP7CYP1A2CYP3A4 | |
| SCHEMBL6016337 | 0.84 | CASP1 (0.55) | ALDH1A1CASP1CASP7CYP1A2CYP3A4 | |
| SCHEMBL6016593 | 0.84 | CASP1 (0.48) | ALDH1A1CASP1CASP7CYP1A2CYP3A4 | |
| Piperazine SCHEMBL6016696 | 0.83 | ALDH1A1 (0.41) | ALDH1A1CASP1CASP7CYP1A2CYP3A4 | |
| Piperazine SCHEMBL6016518 | 0.82 | ALDH1A1 (0.44) | ALDH1A1CASP1CASP7CYP1A2CYP3A4 | |
| SCHEMBL4119980 | 0.82 | ALDH1A1 (0.42) | ALDH1A1CASP1CASP7CYP1A2CYP3A4 | |
| SCHEMBL6016520 | 0.81 | ALDH1A1 (0.44) | ALDH1A1CASP1CASP7CYP1A2CYP3A4 |
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-1187815-B1 | 4-PHENYL-PYRIMIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2006-02-08 | — | — | EP | disclosed |
| US-6274588-B1 | NEUROKININ OR SUBSTANCE P ANTAGONISTS; CENTRAL NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDES; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS | HOFFMANN-LA ROCHE INC. | 2001-08-14 | — | — | US | disclosed |