Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 20/20 | 0.77 |
| ▸ | HDAC6 | Q9UBN7 | 19/20 | 0.77 |
| ▸ | HDAC1 | Q13547 | 17/20 | 0.77 |
| ▸ | HDAC2 | Q92769 | 9/20 | 0.74 |
| ▸ | PDE6C | P51160 | 1/20 | 0.57 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.57 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.57 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL16003683 | 0.93 | PDE5A (0.79) | PDE5AHDAC6HDAC1HDAC2PDE6C | |
| SCHEMBL18714971 | 0.92 | PDE5A (0.72) | PDE5AHDAC6HDAC1HDAC2PDE6C | |
| SCHEMBL16003759 | 0.88 | PDE5A (0.90) | PDE5AHDAC6HDAC1HDAC2PDE6C | |
| SCHEMBL16003667 | 0.87 | PDE5A (1.00) | PDE5AHDAC6HDAC1HDAC2PDE6C | |
| SCHEMBL17390219 | 0.85 | PDE5A (1.00) | PDE5AHDAC6HDAC1HDAC2PDE6C | |
| SCHEMBL17390260 | 0.84 | PDE5A (0.74) | PDE5AHDAC6HDAC1HDAC2PDE6C | |
| SCHEMBL18714941 | 0.84 | PDE5A (0.86) | PDE5AHDAC6HDAC1HDAC2PDE6C | |
| SCHEMBL17390154 | 0.84 | PDE5A (0.71) | PDE5AHDAC6HDAC1HDAC2PDE6C | |
| SCHEMBL17404884 | 0.83 | PDE5A (0.78) | PDE5AHDAC6HDAC1HDAC2PDE6C | |
| SCHEMBL16003679 | 0.83 | PDE5A (1.00) | PDE5AHDAC6HDAC1HDAC2PDE6C |
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-2961741-B1 | NOVEL COMPOUNDS AS DUAL INHIBITORS OF PHOSPHODIESTERASES AND HISTONE DEACETYLASES | FUND PARA LA INVESTIG MEDICA APLICADA (ES) | 2017-04-05 | — | — | EP | disclosed |
| WO-2014131855-A1 | NOVEL COMPOUNDS AS DUAL INHIBITORS OF PHOSPHODIESTERASES AND HISTONE DEACETYLASES | FUNDACIÓN PARA LA INVESTIGACIÓN MÉDICA APLICADA (ES) | 2014-09-04 | — | — | WO | disclosed |