Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 2/20 | 0.70 |
| ▸ | DRD2 | P14416 | 9/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | DRD3 | P35462 | 11/20 | 0.54 |
| ▸ | DRD4 | P21917 | 8/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.52 |
| ▸ | PRCP | P42785 | 1/20 | 0.52 |
| ▸ | EBP | Q15125 | 1/20 | 0.52 |
| ▸ | HTR1A | P08908 | 6/20 | 0.46 |
| ▸ | DRD1 | P21728 | 6/20 | 0.46 |
| ▸ | DRD5 | P21918 | 6/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28436447 | 1.00 | OPRM1 (0.70) | OPRM1DRD2MAPK1DRD3DRD4 | |
| SCHEMBL21227034 | 1.00 | OPRM1 (0.70) | OPRM1DRD2MAPK1DRD3DRD4 | |
| SCHEMBL19052403 | 0.86 | OPRM1 (0.66) | OPRM1DRD2MAPK1DRD3DRD4 | |
| SCHEMBL13836324 | 0.83 | OPRM1 (1.00) | OPRM1MAPK1SIGMAR1 | |
| SCHEMBL2464750 | 0.83 | OPRM1 (1.00) | OPRM1MAPK1SIGMAR1 | |
| SCHEMBL13835268 | 0.83 | OPRM1 (1.00) | OPRM1MAPK1SIGMAR1 | |
| SCHEMBL13836265 | 0.81 | OPRM1 (0.60) | OPRM1DRD2MAPK1 | |
| SCHEMBL2467386 | 0.81 | OPRM1 (0.60) | OPRM1DRD2MAPK1 | |
| SCHEMBL16541858 | 0.81 | OPRM1 (0.60) | OPRM1DRD2MAPK1DRD3 | |
| SCHEMBL2463166 | 0.81 | OPRM1 (0.60) | OPRM1DRD2MAPK1DRD3DRD4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111094300-B | Benzo-heteroaryl derivative, preparation method and application thereof in medicine | 江苏恒瑞医药股份有限公司 | 2022-09-16 | — | — | CN | disclosed |