Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 13/20 | 0.41 |
| ▸ | DRD3 | P35462 | 2/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.33 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.33 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.33 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | AKT1 | P31749 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9856043 | 0.94 | KDM1A (0.40) | KDM1ADRD3DRD2DRD4CYP11B1 | |
| SCHEMBL9854880 | 0.93 | KDM1A (0.39) | KDM1ADRD3DRD2DRD4CYP11B1 | |
| SCHEMBL9855144 | 0.92 | KDM1A (0.39) | KDM1ADRD3DRD2DRD4CYP11B1 | |
| SCHEMBL9855680 | 0.91 | KDM1A (0.40) | KDM1ADRD3DRD2DRD4CYP11B1 | |
| SCHEMBL9855095 | 0.87 | DRD2 (0.38) | KDM1ADRD3DRD2DRD4 | |
| SCHEMBL9855747 | 0.86 | DRD3 (0.43) | KDM1ADRD3DRD2DRD4MAOB | |
| SCHEMBL9854848 | 0.86 | DRD2 (0.37) | KDM1ADRD3DRD2DRD4 | |
| SCHEMBL9855303 | 0.85 | RARB (0.38) | KDM1ADRD3DRD2DRD4 | |
| SCHEMBL9855498 | 0.84 | RARB (0.41) | KDM1ADRD3DRD2DRD4 | |
| SCHEMBL10509821 | 0.82 | DRD3 (0.40) | KDM1ADRD3DRD2DRD4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5068053-A | Liquid crystals for optical apparatus | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-11-26 | — | — | US | disclosed |
| EP-0306505-A1 | ACETYLENE DERIVATIVES AS COMPONENTS OF LIQUID CRYSTAL PHASES. | MERCK PATENT GMBH (DE) | 1989-03-15 | — | — | EP | disclosed |
| WO-1988007523-A1 | ACETYLENE DERIVATIVES AS COMPONENTS OF LIQUID CRYSTAL PHASES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1988-10-06 | — | — | WO | disclosed |