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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.48 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CHKA | P35790 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10615036 | 1.00 | KDM4E (0.54) | KDM4ECHRM5CHRM3SIGMAR1TSHR | |
| SCHEMBL3832605 | 1.00 | KDM4E (0.54) | KDM4ECHRM5CHRM3SIGMAR1TSHR | |
| SCHEMBL13833227 | 0.98 | KDM4E (0.56) | KDM4ECHRM5CHRM3SIGMAR1TSHR | |
| SCHEMBL422666 | 0.98 | KDM4E (0.56) | KDM4ECHRM5CHRM3SIGMAR1TSHR | |
| SCHEMBL23014609 | 0.95 | KDM4E (0.54) | KDM4ECHRM5CHRM3SIGMAR1TSHR | |
| Hydrochloric Acid SCHEMBL4681 | 0.95 | KDM4E (0.54) | KDM4ECHRM5CHRM3SIGMAR1TSHR | |
| Hydrochloric Acid SCHEMBL1546636 | 0.95 | KDM4E (0.54) | KDM4ECHRM5CHRM3SIGMAR1TSHR | |
| SCHEMBL28997085 | 0.90 | CXCR4 (0.53) | KDM4ECHRM5CHRM3SIGMAR1TSHR | |
| SCHEMBL12231842 | 0.90 | KDM4E (0.46) | KDM4ECHRM5CHRM3SIGMAR1TSHR | |
| SCHEMBL22266260 | 0.90 | KDM4E (0.53) | KDM4ECHRM5CHRM3SIGMAR1TSHR |
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-108137600-A | Condensed pyrazole derivatives as kinase inhibitor | UCB生物制药私人有限公司 | 2018-06-08 | — | — | CN | disclosed |