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 | |
|---|---|---|---|---|
| ▸ | HPD | P32754 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.48 |
| ▸ | AKR1C4 | P17516 | 2/20 | 0.48 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.48 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.48 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.48 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 5/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MITF | O75030 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | MC4R | P32245 | 1/20 | 0.46 |
| ▸ | TTR | P02766 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | FLT1 | P17948 | 1/20 | 0.45 |
| ▸ | FLT4 | P35916 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9298819 | 0.92 | HPD (0.54) | HPDALDH1A1AKR1B1AKR1C4AKR1C3 | |
| Piperazine SCHEMBL28142889 | 0.80 | ALDH1A1 (0.52) | ALDH1A1AKR1C3MAPTHTTHPGD | |
| Piperidine SCHEMBL3903114 | 0.80 | HPD (0.56) | HPDALDH1A1AKR1B1AKR1C4AKR1C3 | |
| SCHEMBL27946267 | 0.79 | ALDH1A1 (0.52) | HPDALDH1A1AKR1B1AKR1C4AKR1C3 | |
| Piperazine SCHEMBL28112864 | 0.79 | ALDH1A1 (0.51) | ALDH1A1AKR1C3MAPTHTTHPGD | |
| Piperidine SCHEMBL28759890 | 0.78 | ALDH1A1 (0.49) | ALDH1A1KCNMA1MAPTLMNAHTT | |
| SCHEMBL8492612 | 0.78 | AKR1B1 (0.53) | HPDALDH1A1AKR1B1AKR1C4AKR1C3 | |
| SCHEMBL442397 | 0.77 | HPD (0.60) | HPDALDH1A1AKR1B1AKR1C4AKR1C3 | |
| Ammonia Solution, Strong SCHEMBL28953061 | 0.76 | HPD (0.59) | HPDALDH1A1AKR1B1AKR1C4AKR1C3 | |
| Hydrochloric Acid SCHEMBL11776053 | 0.76 | HPD (0.59) | HPDALDH1A1AKR1B1AKR1C4AKR1C3 |
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-1620294-A | Pyrimidine A2BSelective antagonist compounds, their synthesis and use | OSI PHARM INC (US) | 2005-05-25 | — | — | CN | disclosed |