Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 1/20 | 0.44 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.44 |
| ▸ | PDE5A | O76074 | 18/20 | 0.41 |
| ▸ | PDE11A | Q9HCR9 | 4/20 | 0.41 |
| ▸ | PDE6C | P51160 | 6/20 | 0.39 |
| ▸ | GHSR | Q92847 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28391908 | 1.00 | MTNR1A (0.44) | MTNR1AMTNR1BPDE5APDE11APDE6C | |
| SCHEMBL28388905 | 1.00 | MTNR1A (0.44) | MTNR1AMTNR1BPDE5APDE11APDE6C | |
| SCHEMBL28388897 | 0.84 | PDE5A (0.40) | PDE5APDE11APDE6C | |
| SCHEMBL28388902 | 0.84 | PDE5A (0.40) | PDE5APDE11APDE6C | |
| SCHEMBL28391902 | 0.84 | PDE5A (0.40) | PDE5APDE11APDE6C | |
| SCHEMBL2300620 | 0.77 | ALDH1A1 (0.43) | MTNR1AMTNR1BPDE5APDE11APDE6C | |
| SCHEMBL2298105 | 0.77 | ALDH1A1 (0.43) | MTNR1AMTNR1BPDE5APDE11APDE6C | |
| SCHEMBL2298131 | 0.77 | ALDH1A1 (0.43) | MTNR1AMTNR1BPDE5APDE11APDE6C | |
| Acetic Acid SCHEMBL9020771 | 0.65 | PLA2G10 (0.54) | GHSR | |
| SCHEMBL2543245 | 0.64 | GHSR (0.57) | GHSR |
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 |
|---|---|---|---|---|---|---|---|
| CN-109134463-B | β -carboline type 5 phosphodiesterase inhibitor and preparation method and application thereof | 山东大学 | 2020-05-08 | — | — | CN | claimed |
| CN-109134463-B | β -carboline type 5 phosphodiesterase inhibitor and preparation method and application thereof | 山东大学 | 2020-05-08 | — | — | CN | disclosed |