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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 2/20 | 0.49 |
| ▸ | BRD4 | O60885 | 1/20 | 0.49 |
| ▸ | DDO | Q99489 | 1/20 | 0.49 |
| ▸ | KDR | P35968 | 5/20 | 0.46 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.46 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.43 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.43 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.43 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.43 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.43 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA3 | P07451 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Formaldehyde SCHEMBL28001667 | 0.92 | DAO (0.56) | DAOBRD4DDOKDRCHEK1 | |
| Azetidine SCHEMBL8198613 | 0.90 | DAO (0.51) | DAOBRD4DDOKDRCHEK1 | |
| SCHEMBL10617 | 0.88 | DAO (0.60) | DAOBRD4DDOKDRCHEK1 | |
| SCHEMBL29370120 | 0.88 | DAO (0.60) | DAOBRD4DDOKDRCHEK1 | |
| SCHEMBL27818462 | 0.86 | DAO (0.58) | DAOBRD4DDOKDRCHEK1 | |
| Hydrochloric Acid SCHEMBL6506378 | 0.86 | DAO (0.58) | DAOBRD4DDOKDRCHEK1 | |
| SCHEMBL28439712 | 0.82 | CA12 (0.67) | DAOBRD4DDOKDRCHEK1 | |
| SCHEMBL27802365 | 0.82 | BRD4 (0.44) | DAOBRD4DDOKDRCHEK1 | |
| Phenylpiperazine SCHEMBL27743147 | 0.82 | HTR3E (0.53) | KDRALDH1A1HRH4HRH3MAPT | |
| SCHEMBL28589648 | 0.80 | KDR (0.53) | DAOBRD4DDOKDRCHEK1 |
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-104530091-B | Chiral 3,3'-methylene-dioxazine (thiazine)-fluoroquinolone derivative as well as preparation method and application thereof | 河南大学 | 2017-01-11 | — | — | CN | claimed |