Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | CASP4 | P49662 | 1/20 | 0.35 |
| ▸ | CASP5 | P51878 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | TRPC5 | Q9UL62 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | PDE5A | O76074 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.32 |
| ▸ | CYP21A2 | P08686 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11197489 | 0.92 | CASP1 (0.45) | CASP1CASP4CASP5DRD2DRD3 | |
| SCHEMBL11194501 | 0.71 | LMNA (0.51) | PARP1 | |
| SCHEMBL11196110 | 0.69 | ALDH1A1 (0.50) | — | |
| SCHEMBL11205135 | 0.69 | HTR1A (0.55) | CASP1CASP4CASP5DRD2DRD3 | |
| SCHEMBL18740713 | 0.67 | — | — | |
| SCHEMBL7321483 | 0.67 | CHRM5 (0.60) | CASP1CASP4CASP5DRD2HTR2C | |
| SCHEMBL11200198 | 0.67 | ALDH1A1 (0.45) | — | |
| SCHEMBL10860653 | 0.66 | SIGMAR1 (0.54) | HTR1AHTR2C | |
| SCHEMBL10852018 | 0.66 | HTR1A (0.50) | DRD2DRD3HTR1A | |
| SCHEMBL11201299 | 0.66 | USP2 (0.50) | — |
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-4421753-A | HYPOTENSIVE AGENTS | AMERICAN CYANAMID COMPANY (US) | 1983-12-20 | — | — | US | claimed |