Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.88 |
| ▸ | MEN1 | O00255 | 7/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.60 |
| ▸ | TOP2A | P11388 | 1/20 | 0.58 |
| ▸ | HPGD | P15428 | 3/20 | 0.58 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.58 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.58 |
| ▸ | ABAT | P80404 | 1/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.58 |
| ▸ | ALPI | P09923 | 1/20 | 0.55 |
| ▸ | ALPG | P10696 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | ABL1 | P00519 | 1/20 | 0.54 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.54 |
| ▸ | BCR | P11274 | 1/20 | 0.54 |
| ▸ | PIM1 | P11309 | 2/20 | 0.51 |
| ▸ | PIM3 | Q86V86 | 2/20 | 0.51 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| Ethyl Vanillin SCHEMBL28237106 | 0.94 | ALDH1A1 (0.78) | ALDH1A1MEN1KMT2ATOP2AHPGD | |
| Ethyl Vanillin SCHEMBL28149909 | 0.94 | ALDH1A1 (0.93) | ALDH1A1MEN1KMT2ATOP2AHPGD | |
| Ethyl Vanillin SCHEMBL719058 | 0.94 | ALDH1A1 (1.00) | ALDH1A1MEN1KMT2ATOP2AHPGD | |
| Ethyl Vanillin SCHEMBL30247 | 0.94 | ALDH1A1 (1.00) | ALDH1A1MEN1KMT2ATOP2AHPGD | |
| Ethyl Vanillin SCHEMBL29351334 | 0.94 | ALDH1A1 (1.00) | ALDH1A1MEN1KMT2ATOP2AHPGD | |
| Ethyl Vanillin SCHEMBL28208513 | 0.92 | ALDH1A1 (0.97) | ALDH1A1MEN1KMT2ATOP2AHPGD | |
| Ethyl Vanillin SCHEMBL5277489 | 0.92 | ALDH1A1 (0.97) | ALDH1A1MEN1KMT2ATOP2AHPGD | |
| Ethyl Vanillin SCHEMBL28027365 | 0.92 | ALDH1A1 (0.97) | ALDH1A1MEN1KMT2ATOP2AHPGD | |
| Ethyl Vanillin SCHEMBL30402049 | 0.92 | ALDH1A1 (0.97) | ALDH1A1MEN1KMT2ATOP2AHPGD | |
| Ethyl Vanillin SCHEMBL30449764 | 0.90 | ALDH1A1 (0.93) | ALDH1A1MEN1KMT2ATOP2AHPGD |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105555273-A | Compositions to alleviate presystemic metabolism of opioids | UNIV VIRGINIA COMMONWEALTH | 2016-05-04 | — | — | CN | claimed |
| US-20160051536-A1 | COMPOSITIONS TO ALLEVIATE PRESYSTEMIC METABOLISM OF OPIOIDS | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 2016-02-25 | — | — | US | claimed |
| EP-2983668-A1 | COMPOSITIONS TO ALLEVIATE PRESYSTEMIC METABOLISM OF OPIOIDS | Virginia Commonwealth University (US) | 2016-02-17 | — | — | EP | claimed |
| WO-2015051525-A1 | SYNTHESIS OF ACETAL/KETAL | RHODIA OPERATIONS (FR) | 2015-04-16 | — | — | WO | claimed |
| WO-2014168925-A1 | COMPOSITIONS TO ALLEVIATE PRESYSTEMIC METABOLISM OF OPIOIDS | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 2014-10-16 | — | — | WO | claimed |
| CN-110897138-A | Cheese type edible essence containing ethyl vanillin propyl diacetal | 苏州禾田香料有限公司 | 2020-03-24 | — | — | CN | disclosed |
| CN-105555273-A | Compositions to alleviate presystemic metabolism of opioids | UNIV VIRGINIA COMMONWEALTH | 2016-05-04 | — | — | CN | disclosed |
| US-20160051536-A1 | COMPOSITIONS TO ALLEVIATE PRESYSTEMIC METABOLISM OF OPIOIDS | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 2016-02-25 | — | — | US | disclosed |
| EP-2983668-A1 | COMPOSITIONS TO ALLEVIATE PRESYSTEMIC METABOLISM OF OPIOIDS | Virginia Commonwealth University (US) | 2016-02-17 | — | — | EP | disclosed |
| WO-2015051525-A1 | SYNTHESIS OF ACETAL/KETAL | RHODIA OPERATIONS (FR) | 2015-04-16 | — | — | WO | disclosed |
| WO-2014168925-A1 | COMPOSITIONS TO ALLEVIATE PRESYSTEMIC METABOLISM OF OPIOIDS | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 2014-10-16 | — | — | WO | disclosed |
| US-8350085-B2 | Cocrystallization | NEW FORM PHARMACEUTICALS INC. (US) | 2013-01-08 | — | — | US | disclosed |
| US-8212079-B2 | Cocrystallization | APTUIT (WEST LAFAYETTE), LLC (US) | 2012-07-03 | — | — | US | disclosed |
| US-20110257430-A1 | NOVEL COCRYSTALLIZATION | APTUIT (KANSAS CITY), LLC (US) | 2011-10-20 | — | — | US | disclosed |
| US-20090281195-A1 | NOVEL COCRYSTALLIZATION | S.S.C.I., INC. (US) | 2009-11-12 | — | — | US | disclosed |
| US-7452555-B2 | Cocrystallization | S.S.C.I., INC. (US) | 2008-11-18 | — | — | US | disclosed |
| US-20070287194-A1 | Screening For Solid Forms By Ultrasound Crystallization And Cocrystallization Using Ultrasound | S.S.C.I., INC | 2007-12-13 | — | — | US | disclosed |