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 | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 12/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 7/20 | 0.44 |
| ▸ | HPGD | P15428 | 6/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.44 |
| ▸ | CASP1 | P29466 | 5/20 | 0.44 |
| ▸ | CASP7 | P55210 | 5/20 | 0.44 |
| ▸ | USP2 | O75604 | 5/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.44 |
| ▸ | GLA | P06280 | 2/20 | 0.44 |
| ▸ | HTR7 | P34969 | 2/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4123893 | 0.99 | TACR1 (0.47) | TACR1CYP1A2CYP3A4CYP2D6TSHR | |
| Methylpiperazine SCHEMBL6016369 | 0.91 | TACR1 (0.54) | TACR1CYP1A2CYP3A4CYP2D6TSHR | |
| Morpholine SCHEMBL6016522 | 0.88 | PTPN11 (0.47) | TACR1CYP1A2CYP3A4TSHRMEN1 | |
| Piperazine SCHEMBL6016442 | 0.86 | ALDH1A1 (0.44) | CYP1A2CYP3A4CYP2D6MEN1KMT2A | |
| SCHEMBL4130476 | 0.86 | TACR1 (0.59) | TACR1CYP1A2CYP3A4CYP2D6TSHR | |
| Piperazine SCHEMBL6016330 | 0.86 | HTR7 (0.47) | CYP1A2CYP3A4CYP2D6ALDH1A1HSD17B10 | |
| Piperazine SCHEMBL6016696 | 0.86 | ALDH1A1 (0.41) | TACR1CYP1A2CYP3A4CYP2D6TSHR | |
| Piperazine SCHEMBL6016624 | 0.85 | ALDH1A1 (0.44) | CYP1A2CYP3A4CYP2D6TSHRMEN1 | |
| SCHEMBL4124274 | 0.85 | ALDH1A1 (0.43) | CYP1A2CYP3A4CYP2D6TSHRMEN1 | |
| SCHEMBL6016368 | 0.85 | ALDH1A1 (0.45) | CYP1A2CYP3A4CYP2D6TSHRMEN1 |
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 |