Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 5/20 | 0.44 |
| ▸ | TNF | P01375 | 1/20 | 0.43 |
| ▸ | MDM2 | Q00987 | 2/20 | 0.43 |
| ▸ | MDM4 | O15151 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | CTSC | P53634 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | YAP1 | P46937 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL16822472 | 1.00 | PTPN1 (0.44) | PTPN1TNFMDM2MDM4TP53 | |
| SCHEMBL20767798 | 0.93 | MDM4 (0.48) | PTPN1TNFMDM2MDM4TP53 | |
| SCHEMBL16822567 | 0.93 | MDM4 (0.48) | PTPN1TNFMDM2MDM4TP53 | |
| SCHEMBL16822592 | 0.89 | TNF (0.45) | PTPN1TNFMDM2MDM4TP53 | |
| SCHEMBL22444667 | 0.84 | MDM2 (0.53) | PTPN1TNFMDM2MDM4TP53 | |
| SCHEMBL28078868 | 0.82 | MDM4 (0.49) | TNFMDM2MDM4TP53HDAC1 | |
| SCHEMBL16822595 | 0.82 | MDM4 (0.49) | TNFMDM2MDM4TP53HDAC1 | |
| SCHEMBL16064419 | 0.82 | PTPN1 (0.58) | PTPN1PPARGCTSCYAP1KMT2A | |
| SCHEMBL29633816 | 0.81 | MDM4 (0.45) | PTPN1MDM2MDM4TP53 | |
| SCHEMBL20112950 | 0.81 | MDM4 (0.40) | PTPN1MDM2MDM4TP53CTSC |
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 |