Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 3/20 | 0.40 |
| ▸ | DRD4 | P21917 | 3/20 | 0.40 |
| ▸ | DRD3 | P35462 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | HRH2 | P25021 | 3/20 | 0.39 |
| ▸ | HRH1 | P35367 | 3/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.38 |
| ▸ | ACACB | O00763 | 2/20 | 0.38 |
| ▸ | RARB | P10826 | 4/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL9855227 | 0.99 | DRD2 (0.40) | DRD2DRD4DRD3CYP3A4CYP2D6 | |
| SCHEMBL9855492 | 0.98 | ACACB (0.39) | DRD2DRD4DRD3CYP3A4CYP2D6 | |
| SCHEMBL9855481 | 0.97 | ACACB (0.39) | DRD2DRD4DRD3CYP3A4CYP2D6 | |
| SCHEMBL9855919 | 0.96 | DRD2 (0.41) | DRD2DRD4DRD3CYP3A4CYP2D6 | |
| SCHEMBL9855232 | 0.96 | DRD2 (0.43) | DRD2DRD4DRD3ACACBITGB3 | |
| SCHEMBL9855327 | 0.95 | DRD2 (0.42) | DRD2DRD4DRD3ACACBITGB3 | |
| SCHEMBL9855412 | 0.95 | DRD2 (0.42) | DRD2DRD4DRD3ACACBKDM4E | |
| SCHEMBL9856379 | 0.94 | DRD2 (0.40) | DRD2DRD4DRD3CYP3A4CYP2D6 | |
| SCHEMBL9855570 | 0.94 | RAB9A (0.40) | DRD2DRD4DRD3CYP3A4CYP2D6 | |
| SCHEMBL9855799 | 0.94 | DRD2 (0.41) | DRD2DRD4DRD3CYP3A4CYP2D6 |
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-5068053-A | Liquid crystals for optical apparatus | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-11-26 | — | — | US | disclosed |