Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.38 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.33 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.33 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 10/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 10/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 10/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 10/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | NAMPT | P43490 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1634599 | 0.86 | BACE1 (0.39) | BACE1BACE2TSHRHDAC3HDAC1 | |
| SCHEMBL8266027 | 0.85 | BACE1 (0.41) | BACE1BACE2TSHRPDE4APDE4B | |
| SCHEMBL1635144 | 0.82 | BACE1 (0.38) | BACE1BACE2HDAC6HDAC3HDAC4 | |
| SCHEMBL8265789 | 0.78 | DRD2 (0.43) | BACE1BACE2PDE4APDE4BPDE4C | |
| SCHEMBL13176987 | 0.77 | BACE1 (0.35) | BACE1BACE2PDE4APDE4BPDE4C | |
| SCHEMBL8265973 | 0.75 | BACE1 (0.44) | BACE1TSHRPDE4APDE4BPDE4C | |
| SCHEMBL1634699 | 0.75 | BACE2 (0.43) | BACE1BACE2PDE4APDE4BPDE4C | |
| SCHEMBL13114389 | 0.73 | BACE1 (0.40) | BACE1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5350869 | 0.71 | PDE4A (0.48) | BACE1BACE2PDE4APDE4BPDE4C | |
| SCHEMBL14723904 | 0.70 | BACE1 (0.50) | BACE1HDAC6HDAC3HDAC4HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7932261-B2 | Macrocycle derivatives useful as inhibitors of β-secretase (BACE) | JANSSEN PHARMACEUTICA NV (BE) | 2011-04-26 | — | — | US | disclosed |