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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 3/20 | 0.70 |
| ▸ | TSHR | P16473 | 1/20 | 0.63 |
| ▸ | MAOB | P27338 | 2/20 | 0.54 |
| ▸ | PNMT | P11086 | 1/20 | 0.54 |
| ▸ | CD44 | P16070 | 1/20 | 0.54 |
| ▸ | DRD2 | P14416 | 2/20 | 0.47 |
| ▸ | DRD1 | P21728 | 2/20 | 0.47 |
| ▸ | DRD4 | P21917 | 1/20 | 0.47 |
| ▸ | DRD5 | P21918 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 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 | |
|---|---|---|---|---|
| Pyrrolidine SCHEMBL28891967 | 0.92 | HTR2C (0.67) | HTR2CTSHRMAOBPNMTCD44 | |
| Piperidine SCHEMBL6646682 | 0.90 | HTR2C (0.64) | HTR2CTSHRMAOBPNMTCD44 | |
| SCHEMBL4505345 | 0.89 | HTR2C (0.70) | HTR2CTSHRMAOBPNMTCD44 | |
| SCHEMBL23555058 | 0.86 | HTR2C (0.94) | HTR2CTSHRMAOBPNMTCD44 | |
| SCHEMBL451157 | 0.85 | TSHR (0.86) | HTR2CTSHRMAOBPNMTCD44 | |
| SCHEMBL9662 | 0.85 | — | — | |
| SCHEMBL29354295 | 0.85 | — | — | |
| SCHEMBL3057782 | 0.85 | TSHR (0.86) | HTR2CTSHRMAOBPNMTCD44 | |
| SCHEMBL4503593 | 0.84 | HTR2C (0.80) | HTR2CTSHRMAOBPNMTCD44 | |
| SCHEMBL175146 | 0.82 | HTR2C (1.00) | HTR2CTSHRMAOBPNMTCD44 |
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-102333766-A | Carboxamide compounds and their use as calpain inhibitors | ABBOTT GMBH & CO KG | 2012-01-25 | — | — | CN | disclosed |