Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 4/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.34 |
| ▸ | MALT1 | Q9UDY8 | 2/20 | 0.34 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | TACR1 | P25103 | 2/20 | 0.33 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.33 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.33 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.33 |
| ▸ | TACR2 | P21452 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20716542 | 0.91 | SRD5A2 (0.39) | HTTSRD5A2S1PR1PDE3BPDE3A | |
| SCHEMBL20716323 | 0.90 | SRD5A2 (0.39) | HTTSRD5A2S1PR1PDE3BPDE3A | |
| SCHEMBL20716538 | 0.88 | L3MBTL1 (0.39) | SRD5A2S1PR1PDE3BPDE3AAKR1C3 | |
| SCHEMBL20716324 | 0.87 | PDE3B (0.41) | HTTSRD5A2S1PR1PDE3BPDE3A | |
| SCHEMBL20716163 | 0.85 | SRD5A2 (0.37) | SRD5A2S1PR1PDE3BPDE3AAKR1C3 | |
| SCHEMBL20716401 | 0.85 | PDE3B (0.42) | SRD5A2S1PR1PDE3BPDE3AAKR1C3 | |
| SCHEMBL20716310 | 0.85 | NPFFR2 (0.41) | HTTRAB9A | |
| SCHEMBL20716137 | 0.84 | PDE3B (0.42) | SRD5A2S1PR1PDE3BPDE3AAKR1C3 | |
| SCHEMBL20716748 | 0.84 | PDE3B (0.38) | SRD5A2S1PR1PDE3BPDE3AAKR1C3 | |
| SCHEMBL20716132 | 0.83 | TAS1R3 (0.39) | HTT |
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-3661517-B1 | DIHYDROOXADIAZINONES | BAYER AG (DE) | 2023-09-13 | — | — | EP | disclosed |
| WO-2019025562-A1 | DIHYDROOXADIAZINONES | BAYER AKTIENGESELLSCHAFT (DE) | 2019-02-07 | — | — | WO | disclosed |