Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MDM4 | O15151 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.40 |
| ▸ | GPR34 | Q9UPC5 | 5/20 | 0.39 |
| ▸ | CTSC | P53634 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.38 |
| ▸ | ITGB3 | P05106 | 4/20 | 0.38 |
| ▸ | ITGA2B | P08514 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | PTPN2 | P17706 | 2/20 | 0.37 |
| ▸ | CDC25B | P30305 | 2/20 | 0.37 |
| ▸ | GPR132 | Q9UNW8 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16822567 | 0.87 | MDM4 (0.48) | MDM4TP53MDM2GPR34CTSC | |
| SCHEMBL20767798 | 0.87 | MDM4 (0.48) | MDM4TP53MDM2GPR34CTSC | |
| SCHEMBL16822472 | 0.81 | PTPN1 (0.44) | MDM4TP53MDM2CTSCPTPN1 | |
| SCHEMBL20112939 | 0.81 | PTPN1 (0.44) | MDM4TP53MDM2CTSCPTPN1 | |
| SCHEMBL24633706 | 0.80 | MDM4 (0.43) | MDM4TP53MDM2GPR132 | |
| SCHEMBL27413465 | 0.78 | MDM2 (0.49) | MDM4TP53MDM2PTPN1GPR132 | |
| SCHEMBL24633696 | 0.78 | MDM4 (0.46) | MDM4TP53MDM2 | |
| SCHEMBL16822595 | 0.77 | MDM4 (0.49) | MDM4TP53MDM2GPR34ITGB3 | |
| SCHEMBL28078868 | 0.77 | MDM4 (0.49) | MDM4TP53MDM2GPR34ITGB3 | |
| SCHEMBL22444667 | 0.76 | MDM2 (0.53) | MDM4TP53MDM2PTPN1 |
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-3315499-A1 | CRYSTAL OF (6S,9aS)-N-BENZYL-6-[(4-HYDROXYPHENYL)METHYL]- 4,7-DIOXO-8-({6-[3-(PIPERAZIN-1-YL)AZETIDIN-1-YL]PYRIDIN- 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) | 2018-05-02 | — | — | EP | disclosed |