Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 6/20 | 0.54 |
| ▸ | DRD3 | P35462 | 4/20 | 0.54 |
| ▸ | DRD2 | P14416 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.53 |
| ▸ | LMNA | P02545 | 4/20 | 0.53 |
| ▸ | SCN1A | P35498 | 3/20 | 0.53 |
| ▸ | SCN2A | Q99250 | 3/20 | 0.53 |
| ▸ | SCN3A | Q9NY46 | 3/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.53 |
| ▸ | MTOR | P42345 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.53 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL1614867 | 0.86 | CYP2C19 (0.54) | OPRM1DRD3DRD2CYP2C19LMNA | |
| SCHEMBL18994329 | 0.84 | OPRM1 (0.69) | OPRM1DRD3DRD2CYP2C19LMNA | |
| Hydrochloric Acid SCHEMBL2861649 | 0.84 | CYP2C19 (0.55) | OPRM1DRD3DRD2CYP2C19LMNA | |
| SCHEMBL10440077 | 0.83 | OPRM1 (0.73) | OPRM1DRD3DRD2CYP2C19LMNA | |
| SCHEMBL9295790 | 0.82 | CHRM3 (0.59) | OPRM1DRD3DRD2CYP2C19LMNA | |
| Methane SCHEMBL5604947 | 0.82 | OPRM1 (0.67) | OPRM1DRD3DRD2CYP2C19LMNA | |
| SCHEMBL14097833 | 0.82 | CYP2C19 (0.51) | OPRM1DRD3DRD2CYP2C19LMNA | |
| SCHEMBL7253643 | 0.79 | CYP2C19 (0.49) | OPRM1DRD3DRD2CYP2C19LMNA | |
| SCHEMBL17870644 | 0.79 | OPRM1 (0.67) | OPRM1DRD3DRD2CYP2C19LMNA | |
| SCHEMBL8610801 | 0.78 | CYP2C19 (0.46) | OPRM1DRD3DRD2CYP2C19LMNA |
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-2022187206-A1 | DUAL-TARGET MU OPIOID AND DOPAMINE D3 RECEPTORS LIGANDS; PREPARATION AND USE THEREOF | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2022-09-09 | — | — | WO | disclosed |