Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.49 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.49 |
| ▸ | PNMT | P11086 | 12/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 4/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.43 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.43 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2892133 | 1.00 | CYP1A2 (0.49) | CYP1A2CYP11B1CYP11B2PNMTADRA2A | |
| SCHEMBL13227654 | 0.84 | PNMT (0.49) | PNMTADRA2AADRA2BADRA2CASIC3 | |
| SCHEMBL1701464 | 0.78 | OPRK1 (0.65) | CYP1A2CYP11B1CYP11B2OPRK1 | |
| SCHEMBL12410851 | 0.77 | CYP1A2 (0.49) | CYP1A2CYP11B1CYP11B2OPRK1 | |
| SCHEMBL6952592 | 0.77 | HTR1D (0.50) | CYP1A2CYP11B1CYP11B2ADRA2AADRA2B | |
| SCHEMBL4621351 | 0.77 | HTR1D (0.50) | CYP1A2CYP11B1CYP11B2ADRA2AADRA2B | |
| SCHEMBL6951077 | 0.77 | CYP1A2 (0.49) | CYP1A2CYP11B1CYP11B2PNMTOPRK1 | |
| SCHEMBL3020673 | 0.77 | OPRK1 (0.62) | OPRK1 | |
| SCHEMBL354978 | 0.77 | OPRK1 (0.62) | OPRK1 | |
| SCHEMBL354979 | 0.77 | OPRK1 (0.62) | OPRK1 |
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 |