Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 6/20 | 0.46 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.36 |
| ▸ | ADH5 | P11766 | 1/20 | 0.36 |
| ▸ | ADCY8 | P40145 | 1/20 | 0.36 |
| ▸ | ADCY1 | Q08828 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL26936362 | 0.83 | S1PR1 (0.42) | S1PR1SRD5A2AKR1C3AKR1C2EPHX2 | |
| SCHEMBL22687589 | 0.81 | LMNA (0.43) | PKM | |
| SCHEMBL20716457 | 0.81 | LMNA (0.43) | PKM | |
| SCHEMBL20703212 | 0.76 | PKM (0.47) | PKMSLC6A3 | |
| SCHEMBL20703213 | 0.76 | PKM (0.47) | PKMSLC6A3 | |
| SCHEMBL26946396 | 0.75 | AKR1C3 (0.46) | S1PR1SRD5A2AKR1C3AKR1C2ROCK2 | |
| SCHEMBL30991476 | 0.73 | AKR1C3 (0.50) | S1PR1SRD5A2AKR1C3AKR1C2ADH5 | |
| SCHEMBL20716381 | 0.72 | VNN1 (0.40) | PKM | |
| SCHEMBL26919977 | 0.71 | AKR1C3 (0.45) | S1PR1SRD5A2AKR1C3AKR1C2ADH5 | |
| SCHEMBL26919975 | 0.71 | AKR1C3 (0.45) | S1PR1SRD5A2AKR1C3AKR1C2ADH5 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023237651-A1 | METHOD FOR THE PREPARATION OF A 3,6-DIHYDRO-2H-1,3,4-OXADIAZIN-2-ONE | BAYER AKTIENGESELLSCHAFT (DE) | 2023-12-14 | — | — | WO | disclosed |
| EP-4289828-A1 | METHOD FOR THE PREPARATION OF A 3,6-DIHYDRO-2H-1,3,4-OXADIAZIN-2-ONE | Bayer Aktiengesellschaft (DE) | 2023-12-13 | — | — | EP | disclosed |