Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 2/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 3/20 | 0.31 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.31 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.31 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.31 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.31 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.31 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.31 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.31 |
| ▸ | PGR | P06401 | 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 | |
|---|---|---|---|---|
| SCHEMBL18726600 | 1.00 | HDAC4 (0.35) | HDAC4HCAR2OPRM1OPRD1OPRK1 | |
| SCHEMBL22444908 | 0.74 | OPRM1 (0.38) | OPRM1OPRK1OPRL1 | |
| SCHEMBL22444801 | 0.74 | OPRM1 (0.38) | OPRM1OPRK1OPRL1 | |
| SCHEMBL22444802 | 0.74 | OPRM1 (0.38) | OPRM1OPRK1OPRL1 | |
| SCHEMBL28555007 | 0.71 | HDAC4 (0.39) | HDAC4HCAR2OPRM1OPRD1OPRK1 | |
| SCHEMBL19215820 | 0.70 | HDAC4 (0.39) | HDAC4OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL4542109 | 0.70 | BACE1 (0.37) | HDAC4HCAR2BACE1BACE2 | |
| SCHEMBL15621612 | 0.69 | HDAC4 (0.43) | HDAC4HCAR2OPRM1OPRD1OPRK1 | |
| SCHEMBL4482310 | 0.68 | HCAR2 (0.38) | HDAC4HCAR2BACE1BACE2PGR | |
| SCHEMBL15142508 | 0.67 | BACE1 (0.33) | HCAR2BACE1BACE2 |
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-2864324-B1 | DIFLUORO-HEXAHYDRO-CYCLOPENTAOXAZINYLS AND DIFLUORO-HEXAHYDRO-BENZOOXAZINYLS AS BACE1 INHIBITORS | HOFFMANN LA ROCHE (CH) | 2018-03-28 | — | — | EP | disclosed |