Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 3/20 | 0.47 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.43 |
| ▸ | BACE1 | P56817 | 3/20 | 0.43 |
| ▸ | ALKBH3 | Q96Q83 | 1/20 | 0.43 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.42 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 2/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7889463 | 0.89 | PGR (0.46) | PGRCHEK1BACE1ALKBH3NCOA1 | |
| SCHEMBL12748158 | 0.87 | PGR (0.47) | PGRCHEK1BACE1ALKBH3NCOA1 | |
| SCHEMBL12747661 | 0.87 | BACE1 (0.45) | PGRCHEK1BACE1ALKBH3NCOA1 | |
| SCHEMBL12748135 | 0.83 | BACE1 (0.56) | PGRCHEK1BACE1ALKBH3NCOA1 | |
| SCHEMBL7892335 | 0.83 | BACE1 (0.56) | PGRCHEK1BACE1ALKBH3NCOA1 | |
| SCHEMBL12748238 | 0.81 | BACE1 (0.53) | PGRCHEK1BACE1ALKBH3NCOA1 | |
| SCHEMBL12748242 | 0.80 | BACE1 (0.55) | PGRCHEK1BACE1ALKBH3NCOA1 | |
| SCHEMBL30483 | 0.78 | BACE1 (0.59) | PGRCHEK1BACE1 | |
| SCHEMBL12746120 | 0.78 | BACE1 (0.44) | PGRBACE1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7888134 | 0.77 | PGR (0.44) | PGRCHEK1ALKBH3NCOA1NCOA3 |
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-2406240-B1 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS INC (US) | 2015-12-23 | — | — | EP | disclosed |