Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 6/20 | 0.50 |
| ▸ | DRD3 | P35462 | 6/20 | 0.50 |
| ▸ | CA1 | P00915 | 3/20 | 0.47 |
| ▸ | CA2 | P00918 | 3/20 | 0.47 |
| ▸ | ACHE | P22303 | 3/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | DRD4 | P21917 | 2/20 | 0.46 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.46 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.46 |
| ▸ | HTR6 | P50406 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | PDE4A | P27815 | 1/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.41 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
| ▸ | NAAA | Q02083 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8766442 | 0.93 | CYP2D6 (0.45) | DRD2DRD3CA1CA2ACHE | |
| SCHEMBL8765272 | 0.93 | CYP2D6 (0.45) | DRD2DRD3CA1CA2ACHE | |
| SCHEMBL8765278 | 0.93 | CYP2D6 (0.45) | DRD2DRD3CA1CA2ACHE | |
| SCHEMBL9630809 | 0.81 | CYP19A1 (0.52) | DRD2DRD3CA1CA2ACHE | |
| SCHEMBL6405616 | 0.81 | DRD2 (0.57) | DRD2DRD3CA1CA2ACHE | |
| SCHEMBL6406186 | 0.80 | PRMT5 (0.47) | DRD2DRD3CA1CA2ACHE | |
| SCHEMBL6406189 | 0.80 | PRMT5 (0.47) | DRD2DRD3CA1CA2ACHE | |
| SCHEMBL7402536 | 0.78 | HTR1D (0.57) | CYP2D6HTR6MAPT | |
| SCHEMBL4225647 | 0.77 | CYP19A1 (0.47) | DRD2DRD3CA1CA2ACHE | |
| SCHEMBL7296513 | 0.77 | CYP19A1 (0.52) | DRD2DRD3CA1CA2ACHE |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050153408-A1 | 7-substituted-2-tetralone or bisulfite adduct is reduced microorganism (Candida) to optically active 7-substituted-2-tetralol;sulfonyl group is introduced to hydroxy group to form optically active 7-substituted-2-sulfonyloxytetralin; nitrogen substituent is introduced via ammonia; industrial scale | KANEKA CORPORATION (JP) | 2005-07-14 | — | — | US | disclosed |
| EP-1457570-A1 | PROCESS FOR PREPARATION OF 2-AMINOTETRALIN DERIVATIVES AND INTERMEDIATES THEREOF | KANEKA CORPORATION (JP) | 2004-09-15 | — | — | EP | disclosed |