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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.36 |
| ▸ | PRKCG | P05129 | 1/20 | 0.36 |
| ▸ | PRKCB | P05771 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | PRKCA | P17252 | 1/20 | 0.36 |
| ▸ | PRKACA | P17612 | 1/20 | 0.36 |
| ▸ | PRKACG | P22612 | 1/20 | 0.36 |
| ▸ | PRKACB | P22694 | 1/20 | 0.36 |
| ▸ | PRKCH | P24723 | 1/20 | 0.36 |
| ▸ | PRKCI | P41743 | 1/20 | 0.36 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL17840964 | 0.90 | ALDH1A1 (0.56) | ALDH1A1EGFRNPC1POLBRAB9A | |
| Quinoline SCHEMBL27569771 | 0.86 | ALDH1A1 (0.63) | ALDH1A1EGFRNPC1POLBRAB9A | |
| SCHEMBL31469070 | 0.82 | ALDH1A1 (0.58) | ALDH1A1NPC1POLBRAB9AKDM4E | |
| SCHEMBL30917351 | 0.82 | ALDH1A1 (0.58) | ALDH1A1EGFRNPC1POLBRAB9A | |
| SCHEMBL29397488 | 0.82 | ALDH1A1 (0.58) | ALDH1A1NPC1POLBRAB9AKDM4E | |
| SCHEMBL139749 | 0.82 | ALDH1A1 (0.58) | ALDH1A1EGFRNPC1POLBRAB9A | |
| SCHEMBL30087475 | 0.82 | ALDH1A1 (0.58) | ALDH1A1EGFRNPC1POLBRAB9A | |
| SCHEMBL89126 | 0.82 | ALDH1A1 (0.58) | ALDH1A1NPC1POLBRAB9AKDM4E | |
| SCHEMBL29551004 | 0.82 | ALDH1A1 (0.58) | ALDH1A1NPC1POLBRAB9AKDM4E | |
| Phthalazine SCHEMBL27834854 | 0.82 | ALDH1A1 (0.52) | ALDH1A1EGFRNPC1POLBRAB9A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101023064-B | Enantiomerically pure aminoheteroaryl compounds as protein kinase inhibitors | PFIZER | 2011-02-16 | — | — | CN | disclosed |
| CN-101018780-A | Pyrazole-substituted aminoheteroaryl compounds as protein kinase inhibitors | AGOURON PHARMA (US) | 2007-08-15 | — | — | CN | disclosed |