Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | ANPEP | P15144 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | PPID | Q08752 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL15144130 | 0.91 | SMN1; SMN2 (0.46) | SMN1; SMN2PTPN1EPHX2MAPTL3MBTL1 | |
| SCHEMBL631833 | 0.88 | ALDH1A1 (0.44) | SMN1; SMN2PTPN1EPHX2MAPTL3MBTL1 | |
| SCHEMBL15146682 | 0.86 | L3MBTL1 (0.47) | SMN1; SMN2PTPN1MAPTL3MBTL1ALDH1A1 | |
| SCHEMBL1592273 | 0.83 | PPID (0.56) | SMN1; SMN2MAPTL3MBTL1CYP2C19LMNA | |
| SCHEMBL2171962 | 0.74 | SMN1; SMN2 (0.44) | SMN1; SMN2PTPN1EPHX2MAPTL3MBTL1 | |
| SCHEMBL10583653 | 0.71 | SMN1; SMN2 (0.61) | SMN1; SMN2PTPN1EPHX2MAPTL3MBTL1 | |
| SCHEMBL13745028 | 0.71 | EPHX1 (0.49) | SMN1; SMN2PTPN1EPHX2EPHX1LMNA | |
| SCHEMBL20824906 | 0.70 | SMN1; SMN2 (0.49) | SMN1; SMN2PTPN1EPHX2MAPTL3MBTL1 | |
| SCHEMBL13773684 | 0.70 | EPHX1 (0.59) | SMN1; SMN2PTPN1EPHX2MAPTALDH1A1 | |
| SCHEMBL23804482 | 0.69 | EPHX1 (0.44) | SMN1; SMN2PTPN1EPHX2L3MBTL1CYP2C9 |
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-3088401-A1 | (6S,9aS)-N-BENZYL-6-[(4-HYDROXYPHENYL)METHYL]-4,7-DIOXO-8-({6-[3-(PIPERAZINE-1-YL)AZETIDINE-1-YL]PYRIDINE-2-YL}METHYL)-2-(PROP-2-EN-1-YL)-OCTAHYDRO-1H-PYRAZINO[2,1-c][1,2,4]TRIAZINE-1-CARBOXAMIDE COMPOUND | Eisai R&D Management Co., Ltd. (JP) | 2016-11-02 | — | — | EP | disclosed |