Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | DRD1 | P21728 | 7/20 | 0.47 |
| ▸ | DRD5 | P21918 | 7/20 | 0.47 |
| ▸ | DRD2 | P14416 | 7/20 | 0.47 |
| ▸ | DRD3 | P35462 | 7/20 | 0.47 |
| ▸ | METAP1 | P53582 | 2/20 | 0.46 |
| ▸ | DRD4 | P21917 | 4/20 | 0.43 |
| ▸ | BCL2 | P10415 | 1/20 | 0.42 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.42 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALPL | P05186 | 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 | |
|---|---|---|---|---|
| SCHEMBL43307 | 0.92 | METAP1 (0.53) | CYP1A2CYP3A4CYP2C9CYP11B1CYP11B2 | |
| SCHEMBL29940518 | 0.92 | METAP1 (0.53) | CYP1A2CYP3A4CYP2C9CYP11B1CYP11B2 | |
| SCHEMBL227363 | 0.85 | CYP1A2 (0.60) | CYP1A2CYP3A4CYP2C9CYP11B1CYP11B2 | |
| SCHEMBL3813236 | 0.82 | DRD1 (0.52) | DRD1DRD5DRD2DRD3METAP1 | |
| SCHEMBL2062199 | 0.81 | DRD1 (0.54) | CYP1A2CYP3A4CYP2C9CYP11B1CYP11B2 | |
| SCHEMBL4041676 | 0.79 | METAP1 (0.58) | CYP1A2CYP3A4CYP2C9CYP11B1CYP11B2 | |
| SCHEMBL27844091 | 0.78 | CYP1A2 (0.49) | CYP1A2CYP3A4CYP2C9CYP11B1CYP11B2 | |
| SCHEMBL27843792 | 0.78 | CYP1A2 (0.49) | CYP1A2CYP3A4CYP2C9CYP11B1CYP11B2 | |
| SCHEMBL228868 | 0.76 | DRD1 (0.56) | CYP1A2CYP3A4CYP2C9CYP11B1CYP11B2 | |
| SCHEMBL14172824 | 0.76 | DRD1 (0.56) | CYP1A2CYP3A4CYP2C9CYP11B1CYP11B2 |
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 |