Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AVPR2 | P30518 | 1/20 | 0.46 |
| ▸ | PDK1 | Q15118 | 8/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 8/20 | 0.39 |
| ▸ | PDK3 | Q15120 | 8/20 | 0.39 |
| ▸ | PDK4 | Q16654 | 8/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | HTR7 | P34969 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 2/20 | 0.36 |
| ▸ | HTR2A | P28223 | 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL8634378 | 0.87 | ALDH1A1 (0.37) | PDK1PDK2PDK3PDK4HSP90AA1 | |
| SCHEMBL8628980 | 0.85 | AVPR2 (0.47) | AVPR2PDK1PDK2PDK3PDK4 | |
| SCHEMBL4685307 | 0.80 | AVPR2 (0.45) | AVPR2HTR7HRH1HRH3 | |
| SCHEMBL8628401 | 0.74 | ALDH1A1 (0.37) | PDK1PDK2PDK3PDK4HSP90AA1 | |
| SCHEMBL4682848 | 0.74 | AVPR2 (0.45) | AVPR2HTR7HRH3 | |
| SCHEMBL8629474 | 0.74 | AVPR2 (0.51) | AVPR2PDK1PDK2PDK3PDK4 | |
| SCHEMBL8630164 | 0.73 | TSHR (0.38) | PDK1PDK2PDK3PDK4HSP90AA1 | |
| SCHEMBL8630395 | 0.72 | PDK1 (0.35) | PDK1PDK2PDK3PDK4HSP90AA1 | |
| SCHEMBL8633374 | 0.72 | AVPR2 (0.52) | AVPR2PDK1PDK2PDK3PDK4 | |
| SCHEMBL8631923 | 0.70 | AVPR2 (0.45) | AVPR2CHRM1HTR7 |
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 |
|---|---|---|---|---|---|---|---|
| US-5753644-A | Vasopressin antagonist and oxytocin antagonist | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1998-05-19 | — | — | US | disclosed |