Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 6/20 | 0.57 |
| ▸ | DRD3 | P35462 | 6/20 | 0.57 |
| ▸ | CA1 | P00915 | 4/20 | 0.53 |
| ▸ | CA2 | P00918 | 4/20 | 0.53 |
| ▸ | ACHE | P22303 | 4/20 | 0.53 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.52 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.52 |
| ▸ | DRD4 | P21917 | 2/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7958716 | 0.94 | CA1 (0.53) | DRD2DRD3CA1CA2ACHE | |
| SCHEMBL8766020 | 0.92 | DRD2 (0.51) | DRD2DRD3CA1CA2ACHE | |
| SCHEMBL5485492 | 0.83 | DRD2 (0.66) | DRD2DRD3CA1CA2ACHE | |
| SCHEMBL6951811 | 0.82 | HTR1D (0.39) | DRD2DRD3CA1CA2ACHE | |
| SCHEMBL6958304 | 0.82 | HTR1D (0.39) | DRD2DRD3CA1CA2ACHE | |
| SCHEMBL6951816 | 0.82 | HTR1D (0.39) | DRD2DRD3CA1CA2ACHE | |
| SCHEMBL6401807 | 0.81 | DRD2 (0.50) | DRD2DRD3CA1CA2ACHE | |
| SCHEMBL4857120 | 0.80 | CA1 (0.45) | CA1CA2MTNR1AMTNR1BHTR2C | |
| SCHEMBL6953263 | 0.80 | CA1 (0.45) | CA1CA2MTNR1AMTNR1BHTR2C | |
| SCHEMBL629488 | 0.78 | MTNR1A (0.61) | 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 |