Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | TTR | P02766 | 3/20 | 0.31 |
| ▸ | COMT | P21964 | 1/20 | 0.31 |
| ▸ | GPR35 | Q9HC97 | 3/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL13859030 | 0.85 | SMN1; SMN2 (0.33) | CYP1A2CYP2C9CYP2C19MAPTLMNA | |
| SCHEMBL14165303 | 0.81 | BACE2 (0.44) | AKR1B1MAPTLMNAHTTALDH1A1 | |
| SCHEMBL1979221 | 0.81 | BACE2 (0.44) | AKR1B1MAPTLMNAHTTALDH1A1 | |
| SCHEMBL1979176 | 0.78 | BACE2 (0.33) | MAPTHTT | |
| SCHEMBL13859233 | 0.78 | MAPT (0.43) | MAPK1CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL13835765 | 0.76 | BACE1 (0.46) | — | |
| SCHEMBL13835763 | 0.76 | BACE1 (0.46) | — | |
| SCHEMBL13859116 | 0.74 | BACE1 (0.39) | — | |
| SCHEMBL13858932 | 0.73 | BACE1 (0.36) | — | |
| SCHEMBL1979567 | 0.73 | BACE2 (0.42) | HSD17B10MAPTLMNAHTTALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2709992-A1 | 1,3-OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2014-03-26 | — | — | EP | disclosed |
| WO-2012156284-A1 | 1,3-OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-11-22 | — | — | WO | disclosed |