Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PREP | P48147 | 1/20 | 0.51 |
| ▸ | CNR1 | P21554 | 6/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.39 |
| ▸ | PDE5A | O76074 | 1/20 | 0.38 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.38 |
| ▸ | PDE11A | Q9HCR9 | 1/20 | 0.38 |
| ▸ | PDE7B | Q9NP56 | 1/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.38 |
| ▸ | PDE9A | O76083 | 4/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 5/20 | 0.37 |
| ▸ | NR1H3 | Q13133 | 5/20 | 0.37 |
| ▸ | PPARD | Q03181 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | PDE1C | Q14123 | 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 | |
|---|---|---|---|---|
| SCHEMBL30813043 | 0.87 | PREP (0.49) | PREPCNR1KCNH2GPR119PDE5A | |
| SCHEMBL30813123 | 0.81 | PREP (0.48) | PREPCNR1PDE5APDE4APDE3B | |
| SCHEMBL30813057 | 0.81 | PREP (0.48) | PREPCNR1PDE5APDE4APDE3B | |
| SCHEMBL30813156 | 0.79 | PREP (0.45) | PREP | |
| SCHEMBL30813225 | 0.79 | PREP (0.47) | PREPCNR1KCNH2GPR119PDE5A | |
| SCHEMBL19609571 | 0.78 | PREP (0.66) | PREP | |
| SCHEMBL19584137 | 0.77 | PREP (0.56) | PREPCNR1PDE5APDE4APDE3B | |
| SCHEMBL20996135 | 0.77 | PREP (0.56) | PREPCNR1PDE5APDE4APDE3B | |
| SCHEMBL30813768 | 0.77 | PREP (0.56) | PREPCNR1PDE5APDE4APDE3B | |
| SCHEMBL30813081 | 0.77 | PREP (0.49) | PREPCNR1PDE5APDE4APDE3B |
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-3455224-B1 | SUBSTITUTED 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRIDINE-3(2H)-ONES AND 2,5,6,7-TETRAHYDRO-3H-PYRROLO[2,1-C][1,2,4]TRIAZOL-3-ONES, AND USE THEREOF | BAYER AG (DE) | 2024-03-27 | — | — | EP | disclosed |