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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.49 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.49 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.34 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5863 | 0.98 | SIGMAR1 (0.56) | SIGMAR1ALDH1A1CHRM5CHRM3DRD2 | |
| Hydrochloric Acid SCHEMBL963162 | 0.96 | ALDH1A1 (0.54) | SIGMAR1ALDH1A1CHRM5CHRM3DRD2 | |
| Hydrochloric Acid SCHEMBL17271878 | 0.96 | ALDH1A1 (0.54) | SIGMAR1ALDH1A1CHRM5CHRM3DRD2 | |
| SCHEMBL2011012 | 0.91 | SIGMAR1 (0.64) | SIGMAR1ALDH1A1CHRM5CHRM3DRD2 | |
| Hydrochloric Acid SCHEMBL2009563 | 0.89 | SIGMAR1 (0.62) | SIGMAR1ALDH1A1CHRM5CHRM3DRD2 | |
| SCHEMBL8393969 | 0.86 | SIGMAR1 (0.53) | SIGMAR1ALDH1A1CHRM5CHRM3MEN1 | |
| Trifluoroacetic Acid SCHEMBL21816637 | 0.86 | SIGMAR1 (0.47) | SIGMAR1ALDH1A1CHRM5CHRM3DRD2 | |
| SCHEMBL9470969 | 0.82 | SIGMAR1 (0.53) | SIGMAR1ALDH1A1CHRM5CHRM3MEN1 | |
| SCHEMBL665674 | 0.81 | SIGMAR1 (0.61) | SIGMAR1ALDH1A1CHRM5CHRM3MEN1 | |
| SCHEMBL2010851 | 0.81 | CHRM5 (0.54) | SIGMAR1ALDH1A1CHRM5CHRM3MEN1 |
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-106928200-A | For the pyrrolotriazine derivatives for the treatment of cancer | 湖南福沃药业有限公司 | 2017-07-07 | — | — | CN | disclosed |