Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.70 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.67 |
| ▸ | DRD3 | P35462 | 2/20 | 0.67 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.67 |
| ▸ | HTR1A | P08908 | 1/20 | 0.67 |
| ▸ | HTR3A | P46098 | 1/20 | 0.67 |
| ▸ | GHSR | Q92847 | 1/20 | 0.67 |
| ▸ | TP53 | P04637 | 7/20 | 0.66 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.57 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.57 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 4/20 | 0.55 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | USP2 | O75604 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL17378494 | 0.90 | OPRK1 (0.71) | CYP1A2OPRK1DRD3KCNH2HTR1A | |
| SCHEMBL19107740 | 0.87 | TP53 (0.54) | CYP1A2OPRK1DRD3KCNH2HTR1A | |
| SCHEMBL9039066 | 0.87 | CYP1A2 (0.75) | CYP1A2OPRK1KCNH2TP53NR1I2 | |
| SCHEMBL11679711 | 0.86 | OPRK1 (0.74) | CYP1A2OPRK1DRD3KCNH2HTR1A | |
| SCHEMBL7433919 | 0.86 | OPRK1 (0.77) | CYP1A2OPRK1DRD3KCNH2HTR1A | |
| SCHEMBL17378493 | 0.85 | TP53 (0.54) | CYP1A2OPRK1DRD3KCNH2HTR1A | |
| Desalkylflurazepam SCHEMBL8124276 | 0.85 | OPRK1 (0.76) | CYP1A2OPRK1DRD3KCNH2HTR1A | |
| Desalkylflurazepam SCHEMBL31365163 | 0.85 | OPRK1 (0.76) | CYP1A2OPRK1DRD3KCNH2HTR1A | |
| SCHEMBL5379874 | 0.84 | OPRK1 (0.77) | CYP1A2OPRK1DRD3KCNH2HTR1A | |
| Flutoprazepam SCHEMBL124578 | 0.83 | OPRK1 (0.67) | CYP1A2OPRK1DRD3KCNH2HTR1A |
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 |
|---|---|---|---|---|---|---|---|
| US-5140011-A | Hypotensive agents | HOFFMANN-LA ROCHE, INC. (US) | 1992-08-18 | — | — | US | disclosed |