Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 5/20 | 0.64 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.64 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.64 |
| ▸ | GRIN2A | Q12879 | 3/20 | 0.64 |
| ▸ | DRD3 | P35462 | 3/20 | 0.64 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.64 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.64 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.64 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.64 |
| ▸ | DRD4 | P21917 | 2/20 | 0.64 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.64 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.64 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.64 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.64 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.64 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.64 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.64 |
| ▸ | MRGPRX2 | Q96LB1 | 1/20 | 0.64 |
| ▸ | DRD2 | P14416 | 1/20 | 0.53 |
| ▸ | CHRM3 | P20309 | 3/20 | 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 | |
|---|---|---|---|---|
| Esmethadone SCHEMBL24294 | 0.78 | GRIN1 (1.00) | OPRM1KCNH2GRIN1GRIN2ADRD3 | |
| SCHEMBL18994323 | 0.78 | OPRM1 (0.64) | OPRM1KCNH2GRIN1GRIN2ADRD3 | |
| SCHEMBL6014665 | 0.78 | OPRM1 (0.64) | OPRM1KCNH2GRIN1GRIN2ADRD3 | |
| Methadone SCHEMBL34140 | 0.78 | GRIN1 (1.00) | OPRM1KCNH2GRIN1GRIN2ADRD3 | |
| Levomethadone SCHEMBL147864 | 0.78 | GRIN1 (1.00) | OPRM1KCNH2GRIN1GRIN2ADRD3 | |
| Methadone SCHEMBL17008675 | 0.78 | GRIN1 (1.00) | OPRM1KCNH2GRIN1GRIN2ADRD3 | |
| Levomethadone SCHEMBL8506268 | 0.78 | GRIN1 (1.00) | OPRM1KCNH2GRIN1GRIN2ADRD3 | |
| SCHEMBL22312317 | 0.78 | OPRM1 (0.72) | OPRM1KCNH2GRIN1GRIN2ADRD3 | |
| Methadone SCHEMBL7787108 | 0.77 | GRIN1 (0.97) | OPRM1KCNH2GRIN1GRIN2ADRD3 | |
| Levomethadone SCHEMBL18546834 | 0.77 | GRIN1 (0.97) | OPRM1KCNH2GRIN1GRIN2ADRD3 |
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-1778252-A2 | NONCARDIOTOXIC PHARMACEUTICAL COMPOUNDS | Barbeau, Donald L. (US) | 2007-05-02 | — | — | EP | disclosed |
| WO-2006020573-A2 | NONCARDIOTOXIC PHARMACEUTICAL COMPOUNDS | BARBEAU DONALD L (US) | 2006-02-23 | — | — | WO | disclosed |