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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | BTK | Q06187 | 1/20 | 0.32 |
| ▸ | CASP3 | P42574 | 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 | |
|---|---|---|---|---|
| SCHEMBL16666240 | 0.93 | HRH3 (0.42) | HRH3ALDH1A1MAPTKMT2AMEN1 | |
| SCHEMBL5007737 | 0.93 | HRH3 (0.42) | HRH3ALDH1A1MAPTKMT2AMEN1 | |
| SCHEMBL1707724 | 0.93 | HRH3 (0.42) | HRH3ALDH1A1MAPTKMT2AMEN1 | |
| Hydrochloric Acid SCHEMBL28556919 | 0.91 | HRH3 (0.41) | HRH3ALDH1A1MAPTKMT2AMEN1 | |
| Hydrochloric Acid SCHEMBL31015156 | 0.91 | HRH3 (0.41) | HRH3ALDH1A1MAPTKMT2AMEN1 | |
| Hydrochloric Acid SCHEMBL28556920 | 0.91 | HRH3 (0.41) | HRH3ALDH1A1MAPTKMT2AMEN1 | |
| SCHEMBL16764162 | 0.88 | HRH3 (0.41) | HRH3ALDH1A1MAPTKMT2AMEN1 | |
| SCHEMBL183835 | 0.83 | HRH3 (0.48) | HRH3ALDH1A1MAPTKMT2AMEN1 | |
| SCHEMBL1852285 | 0.83 | HRH3 (0.48) | HRH3ALDH1A1MAPTKMT2AMEN1 | |
| SCHEMBL222318 | 0.83 | HRH3 (0.48) | HRH3ALDH1A1MAPTKMT2AMEN1 |
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-109438513-A | IDO1 inhibitor, preparation method and application containing substituted phosphonic amide ester | 中国药科大学 | 2019-03-08 | — | — | CN | disclosed |