Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 3/20 | 0.37 |
| ▸ | DRD4 | P21917 | 3/20 | 0.37 |
| ▸ | DRD3 | P35462 | 3/20 | 0.37 |
| ▸ | RARB | P10826 | 1/20 | 0.32 |
| ▸ | ACACB | O00763 | 2/20 | 0.31 |
| ▸ | KDM1A | O60341 | 5/20 | 0.31 |
| ▸ | CHKA | P35790 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9855403 | 0.94 | DRD2 (0.36) | DRD2DRD4DRD3RARBACACB | |
| SCHEMBL9855303 | 0.94 | RARB (0.38) | DRD2DRD4DRD3RARBKDM1A | |
| SCHEMBL9855777 | 0.93 | RARB (0.37) | DRD2DRD4DRD3RARBACACB | |
| SCHEMBL9855498 | 0.93 | RARB (0.41) | DRD2DRD4DRD3RARBKDM1A | |
| SCHEMBL9855253 | 0.93 | DRD2 (0.38) | DRD2DRD4DRD3RARBACACB | |
| SCHEMBL9855095 | 0.93 | DRD2 (0.38) | DRD2DRD4DRD3RARBKDM1A | |
| SCHEMBL9855142 | 0.92 | RARB (0.39) | DRD2DRD4DRD3RARB | |
| SCHEMBL9855577 | 0.90 | RARB (0.38) | DRD2DRD4DRD3RARBKDM1A | |
| SCHEMBL9855371 | 0.89 | RARB (0.41) | DRD2DRD4DRD3RARBKDM1A | |
| SCHEMBL9855298 | 0.89 | RARB (0.41) | DRD2DRD4DRD3RARBKDM1A |
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 |