Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 6/20 | 0.67 |
| ▸ | GRIN2A | Q12879 | 6/20 | 0.67 |
| ▸ | GRIN2D | O15399 | 5/20 | 0.67 |
| ▸ | GRIN2C | Q14957 | 5/20 | 0.67 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.67 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.67 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.67 |
| ▸ | DRD3 | P35462 | 3/20 | 0.67 |
| ▸ | DRD4 | P21917 | 2/20 | 0.67 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.67 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.67 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.67 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.67 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.67 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.67 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.67 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.67 |
| ▸ | MRGPRX2 | Q96LB1 | 1/20 | 0.67 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL8661873 | 0.92 | GRIN1 (0.64) | GRIN1GRIN2AGRIN2DGRIN2CGRIN2B | |
| SCHEMBL3166469 | 0.88 | GRIN1 (0.68) | GRIN1GRIN2AGRIN2DGRIN2CGRIN2B | |
| SCHEMBL22312261 | 0.86 | GRIN1 (0.70) | GRIN1GRIN2AGRIN2DGRIN2CGRIN2B | |
| SCHEMBL22312943 | 0.82 | GRIN1 (0.72) | GRIN1GRIN2AGRIN2DGRIN2CGRIN2B | |
| SCHEMBL22312251 | 0.81 | GRIN1 (0.70) | GRIN1GRIN2AGRIN2DGRIN2CGRIN2B | |
| SCHEMBL11312228 | 0.81 | GRIN1 (0.70) | GRIN1GRIN2AGRIN2DGRIN2CGRIN2B | |
| SCHEMBL22312256 | 0.81 | GRIN1 (0.74) | GRIN1GRIN2AGRIN2DGRIN2CGRIN2B | |
| Methadone SCHEMBL28890984 | 0.81 | GRIN1 (0.94) | GRIN1GRIN2AGRIN2DGRIN2CGRIN2B | |
| SCHEMBL22312956 | 0.81 | GRIN1 (0.65) | GRIN1GRIN2AGRIN2DGRIN2CGRIN2B | |
| Methadone SCHEMBL34140 | 0.80 | GRIN1 (1.00) | GRIN1GRIN2AGRIN2DGRIN2CGRIN2B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020159587-A1 | STRUCTURALLY MODIFIED OPIOIDS FOR PREVENTION AND TREATMENT OF DISEASES AND CONDITIONS | UNIVERSITY OF PADOVA (IT) | 2020-08-06 | — | — | WO | disclosed |