Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 19/20 | 0.72 |
| ▸ | HDAC6 | Q9UBN7 | 10/20 | 0.72 |
| ▸ | HDAC1 | Q13547 | 9/20 | 0.72 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.69 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.63 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.63 |
| ▸ | PDE6C | P51160 | 3/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | PDE1A | P54750 | 2/20 | 0.54 |
| ▸ | PDE1B | Q01064 | 2/20 | 0.54 |
| ▸ | PDE1C | Q14123 | 2/20 | 0.54 |
| ▸ | PDE2A | O00408 | 1/20 | 0.54 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.54 |
| ▸ | ABCC5 | O15440 | 1/20 | 0.54 |
| ▸ | PDE6D | O43924 | 1/20 | 0.54 |
| ▸ | PDE8A | O60658 | 1/20 | 0.54 |
| ▸ | PDE9A | O76083 | 1/20 | 0.54 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | HTR1A | P08908 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL16003654 | 0.92 | PDE5A (0.77) | PDE5AHDAC6HDAC1HDAC2PDE3A | |
| SCHEMBL18714941 | 0.88 | PDE5A (0.86) | PDE5AHDAC6HDAC1HDAC2PDE3B | |
| SCHEMBL16003683 | 0.86 | PDE5A (0.79) | PDE5AHDAC6HDAC1HDAC2PDE3A | |
| SCHEMBL17390260 | 0.86 | PDE5A (0.74) | PDE5AHDAC6HDAC1HDAC2PDE3B | |
| SCHEMBL16003759 | 0.85 | PDE5A (0.90) | PDE5AHDAC6HDAC1HDAC2PDE3A | |
| SCHEMBL17390154 | 0.85 | PDE5A (0.71) | PDE5AHDAC6HDAC1HDAC2PDE3B | |
| SCHEMBL16003663 | 0.84 | PDE5A (0.69) | PDE5AHDAC6HDAC1HDAC2PDE3B | |
| SCHEMBL16003667 | 0.84 | PDE5A (1.00) | PDE5AHDAC6HDAC1HDAC2PDE3A | |
| SCHEMBL17390255 | 0.84 | PDE5A (0.86) | PDE5AHDAC6HDAC1HDAC2PDE3A | |
| SCHEMBL17390201 | 0.82 | PDE5A (0.68) | PDE5AHDAC6HDAC1HDAC2PDE3B |
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 |