Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.37 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | UGT2B17 | O75795 | 2/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.30 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12696395 | 0.89 | EPAS1 (0.34) | EPAS1 | |
| SCHEMBL10286348 | 0.79 | UGT2B17 (0.41) | ACHEUGT2B17 | |
| SCHEMBL10287035 | 0.79 | POLB (0.36) | ACHE | |
| SCHEMBL14884996 | 0.79 | UGT2B17 (0.41) | ACHEUGT2B17 | |
| SCHEMBL6777574 | 0.79 | HRH3 (0.37) | NOS3NOS1NOS2 | |
| SCHEMBL4066157 | 0.76 | ACVRL1 (0.38) | — | |
| SCHEMBL12273010 | 0.76 | CYP11B2 (0.40) | CYP1A2CYP2C9ALDH1A1CYP11B2 | |
| SCHEMBL10287011 | 0.76 | KDM4C (0.34) | UGT2B17CYP11B2 | |
| SCHEMBL31378836 | 0.76 | NOS3 (0.33) | NOS3NOS1NOS2 | |
| SCHEMBL10287025 | 0.74 | ACHE (0.39) | ACHECYP1A2CYP2C9TSHRALDH1A1 |
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-2012156284-A1 | 1,3-OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-11-22 | — | — | WO | disclosed |
| WO-2012126791-A1 | 1,4-OXAZEPINES AS BACE1 AND/OR BACE2 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-09-27 | — | — | WO | disclosed |