Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 1/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.43 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | OXTR | P30559 | 2/20 | 0.32 |
| ▸ | AVPR1A | P37288 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL65381 | 0.83 | ALDH1A1 (0.49) | PDE4APDE4BPDE4CPDE4DALDH1A1 | |
| SCHEMBL19724903 | 0.80 | PDE4A (0.43) | PDE4APDE4BPDE4CPDE4DALDH1A1 | |
| SCHEMBL16518373 | 0.80 | PDE4A (0.46) | PDE4APDE4BPDE4CPDE4DALDH1A1 | |
| SCHEMBL12443455 | 0.74 | PDE4A (0.47) | PDE4APDE4BPDE4CPDE4DALDH1A1 | |
| SCHEMBL15236377 | 0.74 | — | — | |
| SCHEMBL19725016 | 0.73 | ALDH1A1 (0.38) | ALDH1A1TSHRLMNAMAPT | |
| SCHEMBL13612605 | 0.72 | PDE4A (0.45) | PDE4APDE4BPDE4CPDE4DALDH1A1 | |
| SCHEMBL13605180 | 0.71 | PDE4A (0.44) | PDE4APDE4BPDE4CPDE4DALDH1A1 | |
| SCHEMBL12221345 | 0.69 | EPHX1 (0.39) | PDE4APDE4BPDE4CPDE4DALDH1A1 | |
| SCHEMBL15236509 | 0.69 | PDE8B (0.35) | PDE4APDE4BPDE4CPDE4DALDH1A1 |
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-2986604-B1 | PYRIMIDINE-SUBSTITUTED PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | BOEHRINGER INGELHEIM INT (DE) | 2017-12-20 | — | — | EP | disclosed |