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 | |
|---|---|---|---|---|
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | ATR | Q13535 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
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 SCHEMBL989787 | 0.97 | HIF1A (0.43) | HIF1AMAPTPDE4AKDRCXCR4 | |
| Piperazine SCHEMBL3767537 | 0.97 | HIF1A (0.43) | HIF1AMAPTPDE4AKDRCXCR4 | |
| Aziridine SCHEMBL476461 | 0.93 | — | — | |
| Aziridine SCHEMBL6276086 | 0.93 | TSHR (0.36) | HIF1AMAPTPDE4AKDRHSD17B10 | |
| SCHEMBL28021595 | 0.91 | CXCR4 (0.50) | HIF1AMAPTPDE4AKDRCXCR4 | |
| Pyrrolidine SCHEMBL27968527 | 0.88 | ALDH1A1 (0.44) | MAPTCXCR4SMN1; SMN2HSD17B10NOS2 | |
| SCHEMBL28142052 | 0.88 | CXCR4 (0.53) | HIF1AMAPTPDE4AKDRCXCR4 | |
| Piperidine SCHEMBL27977836 | 0.85 | ALDH1A1 (0.50) | CXCR4SMN1; SMN2HSD17B10 | |
| Pyrrolidine SCHEMBL157612 | 0.84 | — | — | |
| Piperazine SCHEMBL1132834 | 0.82 | TSHR (0.50) | HIF1AMAPTPDE4AKDRCXCR4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104072443-B | N-substituted-piperazinyl dithiocarbamic acid bismuth (III) coordination compound and preparation method thereof and the application in preparing antitumor drug | 南阳师范学院 | 2016-06-08 | — | — | CN | claimed |
| CN-104072443-B | N-substituted-piperazinyl dithiocarbamic acid bismuth (III) coordination compound and preparation method thereof and the application in preparing antitumor drug | 南阳师范学院 | 2016-06-08 | — | — | CN | disclosed |