Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 7/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 4/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.47 |
| ▸ | BACE1 | P56817 | 10/20 | 0.46 |
| ▸ | BACE2 | Q9Y5Z0 | 4/20 | 0.46 |
| ▸ | PKM | P14618 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1979443 | 0.85 | BACE1 (0.51) | BACE1BACE2 | |
| SCHEMBL1979229 | 0.84 | BACE1 (0.66) | BACE1BACE2 | |
| SCHEMBL1980871 | 0.84 | POLB (0.53) | RAB9AALDH1A1NPC1SMN1; SMN2HPGD | |
| SCHEMBL1979981 | 0.82 | BACE1 (0.64) | BACE1BACE2 | |
| SCHEMBL1979162 | 0.81 | BACE1 (0.59) | BACE1BACE2 | |
| SCHEMBL1981723 | 0.81 | BACE1 (0.58) | BACE1BACE2 | |
| SCHEMBL1982738 | 0.80 | BACE1 (0.61) | BACE1BACE2 | |
| SCHEMBL1980711 | 0.80 | BACE1 (0.63) | BACE1BACE2 | |
| SCHEMBL1979183 | 0.80 | BACE1 (0.48) | BACE1BACE2 | |
| SCHEMBL1982781 | 0.80 | BACE1 (0.57) | BACE1BACE2 |
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-2011069934-A1 | 2-AMINO-5, 5-DIFLUORO-5, 6-DIHYDRO-4H-OXAZINES AS BACE 1 AND/OR BACE 2 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-06-16 | — | — | WO | claimed |
| WO-2011069934-A1 | 2-AMINO-5, 5-DIFLUORO-5, 6-DIHYDRO-4H-OXAZINES AS BACE 1 AND/OR BACE 2 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-06-16 | — | — | WO | disclosed |