Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 9/20 | 0.44 |
| ▸ | DRD2 | P14416 | 4/20 | 0.43 |
| ▸ | DRD3 | P35462 | 3/20 | 0.43 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.40 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | KDM5A | P29375 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL29178492 | 0.88 | ALDH1A1 (0.46) | DRD4DRD2DRD3ALDH1A1HSD11B1 | |
| SCHEMBL22999404 | 0.85 | NPC1 (0.51) | DRD4DRD2DRD3HCRTR2NPC1 | |
| SCHEMBL30131210 | 0.83 | KMT2A (0.47) | DRD4DRD2DRD3HCRTR2ALDH1A1 | |
| Propionic Acid SCHEMBL29117403 | 0.83 | DRD4 (0.46) | DRD4DRD2DRD3HCRTR2ALDH1A1 | |
| SCHEMBL16803154 | 0.83 | KMT2A (0.47) | DRD4DRD2DRD3HCRTR2ALDH1A1 | |
| SCHEMBL19558146 | 0.83 | KDM5A (0.42) | DRD4DRD2DRD3HCRTR2ADRA1D | |
| Hydrochloric Acid SCHEMBL30562858 | 0.82 | KMT2A (0.46) | DRD4DRD2DRD3HCRTR2ALDH1A1 | |
| SCHEMBL659325 | 0.82 | KDM4E (0.48) | DRD4DRD2DRD3ALDH1A1HSD11B1 | |
| SCHEMBL900225 | 0.82 | — | — | |
| SCHEMBL29448519 | 0.82 | — | — |
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-2560975-B1 | HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2015-06-17 | — | — | EP | disclosed |