Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | GLA | P06280 | 2/20 | 0.36 |
| ▸ | MAOA | P21397 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1589895 | 0.85 | KDM4E (0.41) | CYP3A4MAPTBRD4KDM4EALDH1A1 | |
| SCHEMBL1590323 | 0.85 | CYP3A4 (0.45) | CYP3A4MAPTBRD4KDM4EALDH1A1 | |
| SCHEMBL1590343 | 0.83 | CA12 (0.48) | CYP3A4MAPTBRD4KDM4E | |
| SCHEMBL9620994 | 0.83 | KDM4E (0.40) | CYP3A4MAPTBRD4KDM4EALDH1A1 | |
| SCHEMBL9620921 | 0.83 | KDM4E (0.40) | CYP3A4MAPTBRD4KDM4EALDH1A1 | |
| SCHEMBL9620925 | 0.83 | KDM4E (0.40) | CYP3A4MAPTBRD4KDM4EALDH1A1 | |
| SCHEMBL24175171 | 0.78 | STING1 (0.45) | CYP3A4MAPTBRD4ALDH1A1ACHE | |
| SCHEMBL10715683 | 0.74 | MAPT (0.41) | CYP3A4MAPTBRD4KDM4EALDH1A1 | |
| SCHEMBL10715674 | 0.74 | CYP3A4 (0.41) | CYP3A4MAPTBRD4KDM4EALDH1A1 | |
| SCHEMBL1589841 | 0.73 | KDM4E (0.42) | CYP3A4MAPTBRD4KDM4EALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0284359-B1 | 1,4-DISUBSTITUTED PIPERAZINE COMPOUNDS, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1992-01-08 | — | — | EP | disclosed |
| US-4880809-A | HYPOTENSIVE AGENTS, AMIDE DERIVATIVES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1989-11-14 | — | — | US | disclosed |
| CN-88101588-A | Preparation 1, the method for 4-disubstituted piperazines compounds | — | 1988-11-23 | — | — | CN | disclosed |
| EP-0284359-A1 | 1,4-Disubstituted piperazine compounds, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1988-09-28 | — | — | EP | disclosed |