Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 3/20 | 0.47 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.46 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 10/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 9/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.43 |
| ▸ | KCNQ4 | P56696 | 1/20 | 0.40 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL12772333 | 0.90 | CYP17A1 (0.53) | AAK1CYP17A1MAP4K4HDAC1KCNQ4 | |
| SCHEMBL3786645 | 0.84 | AAK1 (0.53) | AAK1CYP17A1MAP4K4HDAC2HDAC1 | |
| SCHEMBL3789925 | 0.84 | HDAC2 (0.51) | AAK1CYP17A1MAP4K4HDAC2HDAC1 | |
| SCHEMBL1753916 | 0.83 | ABCB1 (0.54) | AAK1CYP17A1MAP4K4HDAC2HDAC1 | |
| SCHEMBL5868802 | 0.83 | ABCB1 (0.54) | AAK1CYP17A1MAP4K4HDAC2HDAC1 | |
| SCHEMBL24233399 | 0.83 | AAK1 (0.52) | AAK1CYP17A1MAP4K4HDAC2HDAC1 | |
| SCHEMBL5869075 | 0.83 | AAK1 (0.52) | AAK1CYP17A1MAP4K4HPGD | |
| SCHEMBL3790650 | 0.83 | HDAC2 (0.65) | HDAC2HDAC1HDAC3 | |
| SCHEMBL1647601 | 0.83 | CYP17A1 (0.51) | AAK1CYP17A1MAP4K4HDAC2HDAC1 | |
| Ammonia Solution, Strong SCHEMBL21835798 | 0.82 | ABCB1 (0.53) | AAK1CYP17A1MAP4K4HDAC2HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011050146-A1 | CHEMICAL COMPOUNDS | GLAXOSMITHKLINE LLC (US) | 2011-04-28 | — | — | WO | disclosed |
| WO-2011050146-A1 | CHEMICAL COMPOUNDS | GLAXOSMITHKLINE LLC (US) | 2011-04-28 | — | — | WO | disclosed |