Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 4/20 | 0.47 |
| ▸ | SLC6A11 | P48066 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | PYGL | P06737 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6944939 | 1.00 | BACE1 (0.47) | BACE1SLC6A11ALDH1A1HTTNCOA1 | |
| SCHEMBL6944317 | 1.00 | BACE1 (0.47) | BACE1SLC6A11ALDH1A1HTTNCOA1 | |
| SCHEMBL2712697 | 1.00 | BACE1 (0.47) | BACE1SLC6A11ALDH1A1HTTNCOA1 | |
| SCHEMBL10707926 | 1.00 | BACE1 (0.47) | BACE1SLC6A11ALDH1A1HTTNCOA1 | |
| SCHEMBL2712694 | 1.00 | BACE1 (0.47) | BACE1SLC6A11ALDH1A1HTTNCOA1 | |
| SCHEMBL9012913 | 0.88 | BACE1 (0.50) | BACE1SLC6A11NPC1RAB9ABCHE | |
| SCHEMBL13536302 | 0.87 | BACE1 (0.45) | BACE1SLC6A11ALDH1A1HTTNCOA1 | |
| SCHEMBL13567455 | 0.87 | BACE1 (0.45) | BACE1SLC6A11ALDH1A1HTTNCOA1 | |
| SCHEMBL14865952 | 0.87 | CTRB1 (0.53) | NPC1RAB9ABCHE | |
| SCHEMBL6501344 | 0.86 | CTRB1 (0.54) | BACE1NPC1RAB9APYGL |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0710651-B1 | Process for the preparation of a decahydroisoquinoline-alpha, alpha' diamino alcohol | HOFFMANN LA ROCHE (CH) | 2001-01-17 | — | — | EP | claimed |
| WO-2021036256-A1 | METHOD FOR SYNTHESIZING HIV PROTEASE INHIBITOR INTERMEDIATE COMPOUNDS | 凯特立斯（深圳）科技有限公司 | 2021-03-04 | — | — | WO | disclosed |
| EP-0827943-B1 | PROCESSES FOR THE REDUCTION OF CARBONYL COMPOUNDS | KANEKA CORP (JP) | 2003-05-21 | — | — | EP | disclosed |
| US-6150567-A | REACTING CARBONYL COMPOUND WITH ORGANOALUMINUM COMPOUND TO FORM AN ALCOHOL COMPOUND | KANEKA CORPORATION (JP) | 2000-11-21 | — | — | US | disclosed |
| US-H1893-H | REACTING A HALOKETONE COMPOUND OR SALT WITH AN OXIDOREDUCTASE ENZYME SUPPLYING MICROORGANISM OR OXIDOREDUCTASE ENZYME CONTAINING MATERIAL OBTAINED FROM THE MICROORGANISM, CATALYZES THE REDUCTION OF HALOKETONE TO FORM HALOHYDROXIDES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2000-10-03 | — | — | US | disclosed |
| EP-0963972-A2 | Stereoselective reduction of carbonyl compounds | F. HOFFMANN-LA ROCHE AG (CH) | 1999-12-15 | — | — | EP | disclosed |
| US-5977388-A | Compounds useful for preparing an α,α'-diaminoalcohol | HOFFMANN-LA ROCHE INC. (US) | 1999-11-02 | — | — | US | disclosed |
| US-5965733-A | PRODRUG FOR PRODUCING 2-(3(S)-AMINO-2(R)-HYDROXY-4-PHENYL-BUTYL)-N-TERT.BUTYL-DECAHY DRO-(4AS,8AS)-ISOQUINOLINE-3(S)-CARBOXAMIDE FOR TREATING INFECTIONS CAUSED BY HUMAN IMMUNODIFICIENCY VIRUS(HIV) | HOFFMANN-LA ROCHE INC. (US) | 1999-10-12 | — | — | US | disclosed |
| EP-0827943-A1 | PROCESSES FOR THE REDUCTION OF CARBONYL COMPOUNDS | KANEKA CORPORATION (JP) | 1998-03-11 | — | — | EP | disclosed |
| US-5684176-A | REDUCTION OF KETONE IN COMPOUND TO FORM HYDROXY GROUP | HOFFMANN-LA ROCHE INC. (US) | 1997-11-04 | — | — | US | disclosed |
| US-5591885-A | REACTING DIESTER WITH ALKYLLITHIUM AND ORGANOCHLOROSILANE; HALOMETHYLATION | HOFFMAN-LA ROCHE INC. (US) | 1997-01-07 | — | — | US | disclosed |
| US-5523463-A | Method of producing halogenated and alpha-aminoalchohols | HOFFMANN-LA ROCHE INC. (US) | 1996-06-04 | — | — | US | disclosed |