Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | OPRD1 | P41143 | 8/20 | 0.43 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 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 | |
|---|---|---|---|---|
| SCHEMBL27724137 | 0.82 | MEN1 (0.47) | MEN1KMT2AOPRD1USP2CYP2C9 | |
| SCHEMBL693179 | 0.80 | MEN1 (0.51) | MEN1KMT2AOPRD1USP2CYP2C9 | |
| SCHEMBL3230011 | 0.78 | MEN1 (0.46) | MEN1KMT2AOPRD1USP2CYP2C9 | |
| SCHEMBL4153281 | 0.77 | MEN1 (0.53) | MEN1KMT2AOPRD1USP2CYP2C9 | |
| SCHEMBL4153276 | 0.77 | MEN1 (0.53) | MEN1KMT2AOPRD1USP2CYP2C9 | |
| SCHEMBL16822523 | 0.77 | CHRM2 (0.54) | MEN1KMT2ASLC6A9USP2CYP2C19 | |
| SCHEMBL693969 | 0.76 | KMT2A (0.66) | MEN1KMT2AOPRD1USP2CYP2C9 | |
| SCHEMBL18191942 | 0.73 | SLC6A9 (0.52) | MEN1KMT2ASLC6A9CHRM1NPSR1 | |
| SCHEMBL13169216 | 0.71 | CYP2D6 (0.48) | MEN1KMT2AOPRD1OPRM1CHRM2 | |
| SCHEMBL13169215 | 0.71 | CYP2D6 (0.48) | MEN1KMT2AOPRD1OPRM1CHRM2 |
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 |