Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR2 | O43614 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 11/20 | 0.40 |
| ▸ | DRD2 | P14416 | 6/20 | 0.39 |
| ▸ | DRD3 | P35462 | 3/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.36 |
| ▸ | KDM5A | P29375 | 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 | |
|---|---|---|---|---|
| SCHEMBL7710548 | 1.00 | HCRTR2 (0.41) | HCRTR2DRD4DRD2DRD3HSD11B1 | |
| SCHEMBL7704805 | 0.82 | HCRTR2 (0.38) | HCRTR2 | |
| SCHEMBL7712965 | 0.82 | KDM5A (0.37) | KDM5A | |
| SCHEMBL16803142 | 0.80 | DRD4 (0.44) | HCRTR2DRD4DRD2DRD3HSD11B1 | |
| SCHEMBL7710964 | 0.80 | KDM4E (0.35) | ADRA1A | |
| SCHEMBL22999404 | 0.79 | NPC1 (0.51) | HCRTR2DRD4DRD2DRD3 | |
| Acetic Acid SCHEMBL29178492 | 0.78 | ALDH1A1 (0.46) | DRD4DRD2DRD3HSD11B1ADRA1D | |
| SCHEMBL30131210 | 0.77 | KMT2A (0.47) | HCRTR2DRD4DRD2DRD3HSD11B1 | |
| SCHEMBL16803154 | 0.77 | KMT2A (0.47) | HCRTR2DRD4DRD2DRD3HSD11B1 | |
| Propionic Acid SCHEMBL29117403 | 0.77 | DRD4 (0.46) | HCRTR2DRD4DRD2DRD3ADRA1D |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011131596-A1 | HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-10-27 | — | — | WO | disclosed |