Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | AAK1 | Q2M2I8 | 3/20 | 0.43 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.38 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13070866 | 0.90 | SCN10A (0.43) | GAAHTTAAK1DDAH1KDM4E | |
| SCHEMBL2756594 | 0.87 | AAK1 (0.54) | GAAHTTAAK1DDAH1HDAC6 | |
| SCHEMBL2706815 | 0.83 | KDM4E (0.49) | AAK1HDAC6HDAC3HDAC1HDAC2 | |
| SCHEMBL9980127 | 0.83 | ALDH1A1 (0.48) | GAAHDAC6HDAC3HDAC1HDAC2 | |
| SCHEMBL9980120 | 0.83 | SCN10A (0.48) | HTTAAK1HDAC6HDAC3HDAC1 | |
| SCHEMBL13447673 | 0.81 | L3MBTL1 (0.44) | AAK1HDAC6HDAC3HDAC1HDAC2 | |
| SCHEMBL5989076 | 0.81 | DDAH1 (0.54) | GAAHTTAAK1DDAH1KDM4E | |
| SCHEMBL20055032 | 0.78 | KDM4E (0.46) | HTTAAK1HDAC6HDAC3HDAC1 | |
| SCHEMBL10278422 | 0.73 | CYP1A2 (0.50) | HTTAAK1KDM4ESCN10ACYP1A2 | |
| SCHEMBL18462597 | 0.73 | KDM4E (0.52) | GAAHTTAAK1DDAH1KDM4E |
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-3309157-A1 | ANTIVIRAL COMPOUNDS | Gilead Pharmasset LLC (US) | 2018-04-18 | — | — | EP | disclosed |