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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.31 |
| ▸ | TP53 | P04637 | 3/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Piperidine SCHEMBL28747124 | 0.90 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL27911715 | 0.89 | TSHR (0.38) | TSHRALDH1A1TP53HIF1ACYP3A4 | |
| SCHEMBL30658 | 0.87 | — | — | |
| SCHEMBL28051179 | 0.87 | TSHR (0.39) | TSHRALDH1A1TP53HIF1ACYP3A4 | |
| Methylpiperazine SCHEMBL29207769 | 0.86 | MAPK1 (0.31) | MAPK1SMN1; SMN2 | |
| SCHEMBL28301561 | 0.85 | TSHR (0.35) | TSHRALDH1A1TP53HIF1ACYP3A4 | |
| SCHEMBL27812762 | 0.85 | TSHR (0.35) | TSHRALDH1A1TP53HIF1ACYP3A4 | |
| SCHEMBL28856602 | 0.85 | TSHR (0.35) | TSHRALDH1A1TP53HIF1ACYP3A4 | |
| SCHEMBL28839099 | 0.85 | TSHR (0.35) | TSHRALDH1A1TP53HIF1ACYP3A4 | |
| SCHEMBL28175176 | 0.85 | TSHR (0.35) | TSHRALDH1A1TP53HIF1ACYP3A4 |
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-85106982-A | bicyclic compound and preparation method thereof | — | 1987-05-20 | — | — | CN | disclosed |