Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | BLM | P54132 | 1/20 | 0.54 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.54 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.54 |
| ▸ | APP | P05067 | 1/20 | 0.54 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.52 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | NPY1R | P25929 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | NPY2R | P49146 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL20402989 | 1.00 | BCHE (0.55) | BCHEKDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6780998 | 0.86 | STAT3 (0.60) | KDM4ECYP1A2CYP3A4CYP2D6BLM | |
| SCHEMBL6921091 | 0.85 | ABCB1 (0.49) | BCHEKDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6829955 | 0.83 | MEN1 (0.50) | BCHEKDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL20402964 | 0.83 | MMP1 (0.58) | BCHEKDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL22027685 | 0.83 | MMP1 (0.58) | BCHEKDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL20386132 | 0.83 | MMP1 (0.58) | BCHEKDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL20587063 | 0.83 | MMP1 (0.58) | BCHEKDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6780003 | 0.83 | STAT3 (0.57) | KDM4EABCB1ABCG2KMT2AMEN1 | |
| SCHEMBL1322956 | 0.82 | KDM4E (0.64) | BCHEKDM4ECYP1A2CYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3488697-A1 | PREPARATION OF (S,S)-SECOISOLARICIRESINOL DIGLUCOSIDE AND (R,R)-SECOISOLARICIRESINOL DIGLUCOSIDE | The Trustees of the University of Pennsylvania (US) | 2019-05-29 | — | — | EP | disclosed |
| EP-3007557-B1 | PREPARATION OF (S,S)-SECOISOLARICIRESINOL DIGLUCOSIDE AND (R,R)-SECOISOLARICIRESINOL DIGLUCOSIDE | UNIV PENNSYLVANIA (US) | 2018-07-18 | — | — | EP | disclosed |