Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 1/20 | 0.32 |
| ▸ | PDE1A | P54750 | 1/20 | 0.32 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.32 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL732979 | 0.84 | PDE5A (0.33) | PDE5APDE1APDE1BPDE1C | |
| SCHEMBL308485 | 0.74 | ALDH1A1 (0.33) | ALDH1A1HTT | |
| SCHEMBL733173 | 0.71 | — | — | |
| SCHEMBL732973 | 0.71 | — | — | |
| SCHEMBL732642 | 0.69 | GSK3B (0.30) | — | |
| SCHEMBL4266797 | 0.65 | — | — | |
| SCHEMBL309005 | 0.64 | PDE5A (0.34) | PDE5APDE1APDE1BPDE1CALDH1A1 | |
| SCHEMBL6956795 | 0.63 | PDE5A (0.49) | PDE5APDE1APDE1BPDE1CALDH1A1 | |
| SCHEMBL308430 | 0.62 | ALDH1A1 (0.34) | PDE5APDE1APDE1BPDE1CALDH1A1 | |
| SCHEMBL732864 | 0.61 | ALDH1A1 (0.35) | ALDH1A1 |
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-2120569-B1 | SPIROCHROMANON DERIVATIVES | MERCK SHARP & DOHME (US) | 2013-08-14 | — | — | EP | disclosed |
| US-8138197-B2 | Spirochromanon derivatives | MSD K.K. (JP) | 2012-03-20 | — | — | US | disclosed |