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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | CTSD | P07339 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 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 | |
|---|---|---|---|---|
| Piperazine SCHEMBL28142889 | 0.98 | ALDH1A1 (0.52) | ALDH1A1NPC1RAB9ACTSDGAA | |
| Piperidine SCHEMBL27656298 | 0.91 | ALDH1A1 (0.49) | ALDH1A1NPC1RAB9ACTSDGAA | |
| SCHEMBL27637513 | 0.89 | ALDH1A1 (0.59) | ALDH1A1NPC1RAB9ACTSDGAA | |
| SCHEMBL411359 | 0.89 | ALDH1A1 (0.59) | ALDH1A1NPC1RAB9ACTSDGAA | |
| Hydrogen Sulfide SCHEMBL28794532 | 0.87 | ALDH1A1 (0.58) | ALDH1A1NPC1RAB9ACTSDGAA | |
| Water SCHEMBL4951772 | 0.87 | ALDH1A1 (0.58) | ALDH1A1NPC1RAB9ACTSDGAA | |
| Phosphine SCHEMBL28076950 | 0.87 | ALDH1A1 (0.58) | ALDH1A1NPC1RAB9ACTSDGAA | |
| SCHEMBL28783981 | 0.87 | ALDH1A1 (0.58) | ALDH1A1NPC1RAB9ACTSDGAA | |
| Methane SCHEMBL28075995 | 0.87 | ALDH1A1 (0.58) | ALDH1A1NPC1RAB9ACTSDGAA | |
| SCHEMBL28110765 | 0.87 | ALDH1A1 (0.58) | ALDH1A1NPC1RAB9ACTSDGAA |
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-106103419-A | Method for synthesizing vortioxetine through (2- (piperazine-1-yl) phenyl) aniline intermediate | 斯洛文尼亚莱柯制药股份有限公司 | 2016-11-09 | — | — | CN | disclosed |