Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 4/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | AAK1 | Q2M2I8 | 6/20 | 0.43 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | KCNQ4 | P56696 | 1/20 | 0.41 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.41 |
| ▸ | BCL2 | P10415 | 2/20 | 0.41 |
| ▸ | BECN1 | Q14457 | 2/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 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 | |
|---|---|---|---|---|
| SCHEMBL12772333 | 0.92 | CYP17A1 (0.53) | CYP17A1AAK1MAP4K4HPGDHDAC1 | |
| SCHEMBL30175900 | 0.88 | AAK1 (0.49) | CYP17A1NPC1RECQLRAB9ASMN1; SMN2 | |
| SCHEMBL1519234 | 0.88 | AAK1 (0.49) | CYP17A1NPC1RECQLRAB9ASMN1; SMN2 | |
| SCHEMBL1519293 | 0.84 | CYP17A1 (0.62) | CYP17A1AAK1MAP4K4HDAC1HDAC2 | |
| SCHEMBL1646305 | 0.83 | AAK1 (0.47) | CYP17A1AAK1MAP4K4HPGDHDAC1 | |
| SCHEMBL10006006 | 0.82 | AAK1 (0.46) | NPC1RECQLRAB9ASMN1; SMN2AAK1 | |
| SCHEMBL206442 | 0.81 | CYP17A1 (0.59) | CYP17A1NPC1RECQLRAB9ASMN1; SMN2 | |
| SCHEMBL16801729 | 0.81 | NPC1 (0.47) | CYP17A1NPC1RECQLRAB9ASMN1; SMN2 | |
| SCHEMBL30273933 | 0.79 | AAK1 (0.46) | CYP17A1NPC1RECQLRAB9ASMN1; SMN2 | |
| SCHEMBL8292313 | 0.79 | HDAC1 (0.53) | HDAC1HDAC2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011050146-A1 | CHEMICAL COMPOUNDS | GLAXOSMITHKLINE LLC (US) | 2011-04-28 | — | — | WO | disclosed |