Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| 2-Piperazin-1-Yl-Pyrimidine SCHEMBL28926339 | 0.86 | KDM4E (0.75) | KDM4EALDH1A1CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL5190429 | 0.84 | KDM4E (0.72) | KDM4EALDH1A1CYP2C19CYP3A4RECQL | |
| 2-Piperazin-1-Yl-Pyrimidine SCHEMBL169214 | 0.79 | ALDH1A1 (0.95) | KDM4EALDH1A1CYP3A4CYP2D6TSHR | |
| 2-Piperazin-1-Yl-Pyrimidine SCHEMBL893739 | 0.79 | ALDH1A1 (0.95) | KDM4EALDH1A1CYP3A4CYP2D6TSHR | |
| 2-Piperazin-1-Yl-Pyrimidine SCHEMBL924147 | 0.77 | ALDH1A1 (1.00) | KDM4EALDH1A1CYP3A4CYP2D6TSHR | |
| 2-Piperazin-1-Yl-Pyrimidine SCHEMBL27920766 | 0.77 | ALDH1A1 (0.91) | KDM4EALDH1A1CYP3A4CYP2D6TSHR | |
| 2-Piperazin-1-Yl-Pyrimidine SCHEMBL101561 | 0.77 | ALDH1A1 (1.00) | KDM4EALDH1A1CYP3A4CYP2D6TSHR | |
| 2-Piperazin-1-Yl-Pyrimidine SCHEMBL27324991 | 0.77 | ALDH1A1 (0.91) | KDM4EALDH1A1CYP3A4CYP2D6TSHR | |
| 2-Piperazin-1-Yl-Pyrimidine SCHEMBL5375472 | 0.77 | ALDH1A1 (0.91) | KDM4EALDH1A1CYP3A4CYP2D6TSHR | |
| 2-Piperazin-1-Yl-Pyrimidine SCHEMBL10876592 | 0.76 | KDM4E (0.70) | KDM4EALDH1A1CYP2C19CYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2404911-A1 | Novel processes for the preparation of piperazinyl and diazapanyl benzamide derivatives | Janssen Pharmaceutica NV (BE) | 2012-01-11 | — | — | EP | disclosed |