Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CACNA1B | Q00975 | 5/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | KLK5 | Q9Y337 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | KLK7 | P49862 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4744955 | 1.00 | CYP2D6 (0.41) | CYP2D6CACNA1BHDAC3HDAC1HDAC2 | |
| SCHEMBL30826518 | 0.85 | CYP2D6 (0.42) | CYP2D6CACNA1BHDAC3HDAC1HDAC2 | |
| SCHEMBL22398796 | 0.84 | CYP2D6 (0.41) | CYP2D6CACNA1BHDAC3HDAC1HDAC2 | |
| SCHEMBL22398798 | 0.84 | CYP2D6 (0.41) | CYP2D6CACNA1BHDAC3HDAC1HDAC2 | |
| SCHEMBL22398295 | 0.83 | CYP2D6 (0.40) | CYP2D6CACNA1BHDAC3HDAC1HDAC2 | |
| SCHEMBL31023862 | 0.81 | CYP2D6 (0.44) | CYP2D6CACNA1BHDAC3HDAC1HDAC2 | |
| SCHEMBL31023961 | 0.81 | CYP2D6 (0.44) | CYP2D6CACNA1BHDAC3HDAC1HDAC2 | |
| SCHEMBL13533880 | 0.81 | CYP2D6 (0.39) | CYP2D6CACNA1BHDAC3HDAC1HDAC2 | |
| SCHEMBL23332644 | 0.80 | CYP2D6 (0.44) | CYP2D6CACNA1BCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL3497199 | 0.79 | CYP2D6 (0.38) | CYP2D6CACNA1BHDAC3HDAC1HDAC2 |
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-3705471-A1 | DOUBLE-HEADED PROTEASE INHIBITOR | UBE Industries, Ltd. (JP) | 2020-09-09 | — | — | EP | disclosed |