Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 20/20 | 0.56 |
| ▸ | HDAC1 | Q13547 | 14/20 | 0.56 |
| ▸ | HDAC6 | Q9UBN7 | 14/20 | 0.56 |
| ▸ | HDAC2 | Q92769 | 6/20 | 0.56 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.56 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.56 |
| ▸ | PDE6C | P51160 | 3/20 | 0.44 |
| ▸ | PDE3A | Q14432 | 3/20 | 0.43 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.43 |
| ▸ | PDE2A | O00408 | 1/20 | 0.41 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.41 |
| ▸ | ABCC5 | O15440 | 1/20 | 0.41 |
| ▸ | PDE6D | O43924 | 1/20 | 0.41 |
| ▸ | PDE8A | O60658 | 1/20 | 0.41 |
| ▸ | PDE9A | O76083 | 1/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | PDE6A | P16499 | 1/20 | 0.41 |
| ▸ | PDE6G | P18545 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL17390117 | 0.89 | PDE5A (0.70) | PDE5AHDAC1HDAC6HDAC2HDAC3 | |
| SCHEMBL31174348 | 0.77 | PDE5A (0.55) | PDE5AHDAC1HDAC6HDAC2HDAC3 | |
| SCHEMBL17390216 | 0.75 | PDE5A (0.68) | PDE5AHDAC1HDAC6HDAC2HDAC3 | |
| SCHEMBL17390124 | 0.74 | PDE5A (0.75) | PDE5AHDAC1HDAC6HDAC2HDAC3 | |
| SCHEMBL22558019 | 0.74 | KMT2A (0.62) | PDE5APDE6CPDE3APDE3BPDE2A | |
| SCHEMBL22793623 | 0.73 | KMT2A (0.60) | PDE5APDE6CPDE3APDE3BPDE2A | |
| SCHEMBL17390135 | 0.72 | PDE5A (0.64) | PDE5AHDAC1HDAC6HDAC2HDAC3 | |
| SCHEMBL17017276 | 0.72 | PDE5A (0.54) | PDE5AHDAC1HDAC6HDAC2HDAC3 | |
| SCHEMBL17404873 | 0.72 | PDE5A (1.00) | PDE5AHDAC1HDAC6HDAC2HDAC3 | |
| SCHEMBL18069562 | 0.71 | PDE5A (0.65) | PDE5AHDAC1HDAC6HDAC2HDAC3 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |