Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 2/20 | 0.38 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 6/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.36 |
| ▸ | GLI1 | P08151 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.33 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.32 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.32 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.32 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL18458897 | 0.91 | OPRM1 (0.47) | GRIN1GRIN2ASLC6A2OPRM1OPRD1 | |
| SCHEMBL18458898 | 0.84 | DRD2 (0.37) | GRIN1GRIN2AOPRM1OPRD1OPRK1 | |
| SCHEMBL10198744 | 0.83 | OPRM1 (0.43) | GRIN1GRIN2ASLC6A2OPRM1OPRD1 | |
| SCHEMBL10063825 | 0.82 | HSD11B1 (0.42) | GRIN1GRIN2ASLC6A2OPRM1OPRK1 | |
| SCHEMBL18890262 | 0.74 | PTGDR2 (0.34) | MEN1MAPK1KMT2AALDH1A1 | |
| SCHEMBL10066629 | 0.72 | OPRM1 (0.48) | GRIN1GRIN2ASLC6A2OPRM1OPRD1 | |
| SCHEMBL24224544 | 0.71 | HSD17B1 (0.34) | OPRM1OPRD1OPRK1NR1H2NR1H3 | |
| SCHEMBL22803241 | 0.70 | OPRM1 (0.52) | GRIN1GRIN2ASLC6A2OPRM1OPRD1 | |
| SCHEMBL13361592 | 0.69 | GRIN1 (0.47) | GRIN1GRIN2ASLC6A2OPRM1OPRK1 | |
| SCHEMBL26232267 | 0.69 | GRIN1 (0.47) | GRIN1GRIN2ASLC6A2OPRM1OPRK1 |
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-2805950-B1 | Deuterated morphinan compounds | CONCERT PHARMACEUTICALS INC (US) | 2017-11-08 | — | — | EP | disclosed |
| WO-2017020014-A1 | DEUTERATED MORPHINAN COMPOUNDS FOR USE IN TREATING AGITATION | CONCERT PHARMACEUTICALS, INC. (US) | 2017-02-02 | — | — | WO | disclosed |