Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Naltrexone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 known ✓ | P41145 | 10/20 | 0.68 |
| ▸ | OPRD1 known ✓ | P41143 | 10/20 | 0.68 |
| ▸ | OPRM1 known ✓ | P35372 | 9/20 | 0.68 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.68 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.68 |
| ▸ | PKM | P14618 | 1/20 | 0.68 |
| ▸ | CYBB | P04839 | 2/20 | 0.67 |
| ▸ | LMNA | P02545 | 2/20 | 0.67 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.67 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.67 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.67 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.66 |
| ▸ | MAPT | P10636 | 1/20 | 0.66 |
| ▸ | BLM | P54132 | 1/20 | 0.66 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| Nalmefene SCHEMBL7574800 | 0.96 | OPRK1 (0.64) | OPRK1OPRD1OPRM1CYP2D6CHRNA7 | |
| Naloxone SCHEMBL2307300 | 0.95 | OPRK1 (0.74) | OPRK1OPRD1OPRM1CYP2D6CHRNA7 | |
| Nalmefene SCHEMBL3414261 | 0.93 | OPRK1 (0.69) | OPRK1OPRD1OPRM1CYP2D6CHRNA7 | |
| Naltrexone SCHEMBL2425204 | 0.92 | OPRM1 (0.71) | OPRK1OPRD1OPRM1CYP2D6CHRNA7 | |
| Naloxone SCHEMBL2588324 | 0.91 | OPRK1 (0.71) | OPRK1OPRD1OPRM1CYP2D6CYBB | |
| Naloxone SCHEMBL28209122 | 0.90 | OPRK1 (0.71) | OPRK1OPRD1OPRM1CYP2D6CYBB | |
| Naltrexone SCHEMBL29392247 | 0.89 | OPRM1 (0.67) | OPRK1OPRD1OPRM1CYP2D6CHRNA7 | |
| Naloxone SCHEMBL4950697 | 0.89 | OPRK1 (0.68) | OPRK1OPRD1OPRM1CYP2D6CYBB | |
| Naltrexone SCHEMBL30313410 | 0.89 | OPRM1 (0.68) | OPRK1OPRD1OPRM1CYP2D6CHRNA7 | |
| Nalorphine SCHEMBL19816078 | 0.88 | OPRK1 (0.63) | OPRK1OPRD1OPRM1CYP2D6CYBB |
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-0454773-A1 | NOVEL PRODRUG DERIVATIVES OF BIOLOGICALLY ACTIVE AGENTS CONTAINING HYDROXYL GROUPS OR NH-ACIDIC GROUPS | Bundgaard, Hans (DK) | 1991-11-06 | — | — | EP | disclosed |
| WO-1990008128-A1 | NOVEL PRODRUG DERIVATIVES OF BIOLOGICALLY ACTIVE AGENTS CONTAINING HYDROXYL GROUPS OR NH-ACIDIC GROUPS | BUNDGAARD HANS (DK) | 1990-07-26 | — | — | WO | disclosed |