Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 8/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.36 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.35 |
| ▸ | BACE2 | Q9Y5Z0 | 4/20 | 0.34 |
| ▸ | CTSD | P07339 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.33 |
| ▸ | ICMT | O60725 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | PDE1A | P54750 | 1/20 | 0.31 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.31 |
| ▸ | PDE1C | Q14123 | 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 | |
|---|---|---|---|---|
| SCHEMBL31582983 | 0.79 | HTR2A (0.32) | ALDH1A1 | |
| SCHEMBL15621612 | 0.78 | HDAC4 (0.43) | HDAC4HCAR2OPRM1OPRD1OPRK1 | |
| SCHEMBL4341521 | 0.77 | BACE1 (0.49) | BACE1BACE2CTSD | |
| SCHEMBL27987538 | 0.75 | BACE1 (0.41) | BACE1HDAC4BACE2CTSDOPRM1 | |
| SCHEMBL12203839 | 0.75 | HDAC4 (0.49) | HDAC4HCAR2OPRM1OPRD1OPRK1 | |
| SCHEMBL256776 | 0.75 | HDAC4 (0.44) | HDAC4HCAR2OPRM1OPRD1OPRK1 | |
| SCHEMBL19381874 | 0.73 | ALDH1A1 (0.39) | OPRM1OPRK1OPRL1ICMTALDH1A1 | |
| SCHEMBL12475153 | 0.72 | BACE1 (0.36) | BACE1HDAC4OPRM1OPRD1OPRK1 | |
| SCHEMBL4332383 | 0.72 | BACE2 (0.44) | BACE1BACE2ALDH1A1 | |
| SCHEMBL28555007 | 0.72 | HDAC4 (0.39) | BACE1HDAC4HCAR2BACE2OPRM1 |
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-2673278-A1 | N-[3-(5-AMINO-3,3A,7,7A-TETRAHYDRO-1H-2,4-DIOXA-6-AZA-INDEN-7-YL)-PHENYL]-AMIDES AS BACE1 AND/OR BACE2 INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2013-12-18 | — | — | EP | disclosed |
| WO-2012107371-A1 | N-[3-(5-AMINO-3,3A,7,7A-TETRAHYDRO-1H-2,4-DIOXA-6-AZA-INDEN-7-YL)-PHENYL]-AMIDES AS BACE1 AND/OR BACE2 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-08-16 | — | — | WO | disclosed |