Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Methadone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 known ✓ | P35372 | 6/20 | 0.97 |
| ▸ | GRIN1 | Q05586 | 6/20 | 0.97 |
| ▸ | GRIN2A | Q12879 | 6/20 | 0.97 |
| ▸ | GRIN2D | O15399 | 5/20 | 0.97 |
| ▸ | GRIN2C | Q14957 | 5/20 | 0.97 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.97 |
| ▸ | DRD3 | P35462 | 3/20 | 0.97 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.97 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.97 |
| ▸ | DRD4 | P21917 | 2/20 | 0.97 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.97 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.97 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.97 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.97 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.97 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.97 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.97 |
| ▸ | MRGPRX2 | Q96LB1 | 1/20 | 0.97 |
| ▸ | DRD2 | P14416 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Methadone SCHEMBL5486844 | 1.00 | GRIN1 (0.97) | GRIN1GRIN2AOPRM1GRIN2DGRIN2C | |
| Methadone SCHEMBL1369177 | 1.00 | GRIN1 (0.97) | GRIN1GRIN2AOPRM1GRIN2DGRIN2C | |
| Methadone SCHEMBL7107052 | 1.00 | GRIN1 (0.97) | GRIN1GRIN2AOPRM1GRIN2DGRIN2C | |
| Methadone SCHEMBL3426247 | 1.00 | GRIN1 (0.97) | GRIN1GRIN2AOPRM1GRIN2DGRIN2C | |
| Esmethadone SCHEMBL6055296 | 1.00 | GRIN1 (0.97) | GRIN1GRIN2AOPRM1GRIN2DGRIN2C | |
| Methadone SCHEMBL24293 | 1.00 | GRIN1 (0.97) | GRIN1GRIN2AOPRM1GRIN2DGRIN2C | |
| Levomethadone SCHEMBL396161 | 1.00 | GRIN1 (0.97) | GRIN1GRIN2AOPRM1GRIN2DGRIN2C | |
| Methadone SCHEMBL23589519 | 0.98 | GRIN1 (0.94) | GRIN1GRIN2AOPRM1GRIN2DGRIN2C | |
| Methadone SCHEMBL8988558 | 0.98 | GRIN1 (0.94) | GRIN1GRIN2AOPRM1GRIN2DGRIN2C | |
| Methadone SCHEMBL2855175 | 0.98 | GRIN1 (0.94) | GRIN1GRIN2AOPRM1GRIN2DGRIN2C |
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-3310439-A1 | PHARMACEUTICAL COMPOSITIONS FOR ANESTHESIOLOGICAL APPLICATIONS | Imprimis Pharmaceuticals Inc. (US) | 2018-04-25 | — | — | EP | disclosed |
| WO-2016205533-A1 | PHARMACEUTICAL COMPOSITIONS FOR ANESTHESIOLOGICAL APPLICATIONS | IMPRIMIS PHARMACEUTICALS, INC. (US) | 2016-12-22 | — | — | WO | disclosed |