Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.49 |
| ▸ | PGR | P06401 | 14/20 | 0.40 |
| ▸ | PDE4A | P27815 | 2/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.40 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL15552995 | 0.83 | PGR (0.49) | PGRPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL6637532 | 0.82 | BACE1 (0.52) | BACE1PGRPDE4APDE4BPDE4C | |
| Hydrochloric Acid SCHEMBL7492114 | 0.82 | BACE1 (0.44) | BACE1PGRPDE4APDE4BPDE4C | |
| SCHEMBL1822188 | 0.81 | BACE1 (0.58) | BACE1HTR2A | |
| Hydrochloric Acid SCHEMBL6639312 | 0.81 | BACE1 (0.51) | BACE1PGRPDE4APDE4BPDE4C | |
| SCHEMBL6637484 | 0.80 | PGR (0.54) | BACE1PGRPDE4APDE4BPDE4C | |
| SCHEMBL26237932 | 0.78 | BACE1 (0.58) | BACE1PGRHTR2A | |
| Hydrochloric Acid SCHEMBL6639499 | 0.78 | PGR (0.53) | BACE1PGRPDE4APDE4BPDE4C | |
| SCHEMBL7500428 | 0.76 | BACE1 (0.49) | BACE1PGRPDE4APDE4BPDE4C | |
| SCHEMBL31596433 | 0.76 | BACE1 (0.82) | BACE1PGRHTR2A |
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-3191487-A1 | SPIROCYCLIC INHIBITORS OF CATHEPSIN C | Boehringer Ingelheim International GmbH (DE) | 2017-07-19 | — | — | EP | disclosed |
| WO-2016038007-A1 | SPIROCYCLIC INHIBITORS OF CATHEPSIN C | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2016-03-17 | — | — | WO | disclosed |