Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 9/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | PDE5A | O76074 | 1/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.33 |
| ▸ | BDKRB2 | P30411 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | SHBG | P04278 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9954084 | 1.00 | KCNH2 (0.37) | KCNH2HTTPDE5AGRM2BDKRB2 | |
| SCHEMBL9954992 | 0.86 | KCNH2 (0.49) | KCNH2HTTALDH1A1TP53 | |
| SCHEMBL9954014 | 0.86 | KCNH2 (0.49) | KCNH2HTTALDH1A1TP53 | |
| SCHEMBL9954990 | 0.86 | KCNH2 (0.49) | KCNH2HTTALDH1A1TP53 | |
| SCHEMBL9954010 | 0.86 | KCNH2 (0.49) | KCNH2HTTALDH1A1TP53 | |
| SCHEMBL9954878 | 0.84 | ALDH1A1 (0.42) | ALDH1A1TP53CYP3A4SLC6A4 | |
| SCHEMBL9954876 | 0.84 | ALDH1A1 (0.42) | ALDH1A1TP53CYP3A4SLC6A4 | |
| SCHEMBL9959921 | 0.79 | CYP1A2 (0.42) | KCNH2BDKRB2HTR2C | |
| SCHEMBL9959919 | 0.79 | CYP1A2 (0.42) | KCNH2BDKRB2HTR2C | |
| SCHEMBL9959917 | 0.79 | CYP1A2 (0.42) | KCNH2BDKRB2HTR2C |
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-2655307-B1 | COMPOUNDS CAPABLE OF RELEASING FRAGRANT COMPOUNDS | GIVAUDAN SA (CH) | 2018-08-01 | — | — | EP | claimed |
| US-9193935-B2 | Compounds capable of releasing fragrant compounds | GIVAUDAN S.A. (CH) | 2015-11-24 | — | — | US | claimed |
| US-20130316938-A1 | Compounds Capable Of Releasing Fragrant Compounds | GIVAUDAN S.A. (CH) | 2013-11-28 | — | — | US | claimed |
| EP-2655307-A1 | COMPOUNDS CAPABLE OF RELEASING FRAGRANT COMPOUNDS | Givaudan SA (CH) | 2013-10-30 | — | — | EP | claimed |
| WO-2012085857-A1 | 3,8-DIAZA-BICYCLO[4.2.0]OCT-3-YL AMIDES | ACTELION PHARMACEUTICALS LTD (CH) | 2012-06-28 | — | — | WO | claimed |
| WO-2012085287-A1 | COMPOUNDS CAPABLE OF RELEASING FRAGRANT COMPOUNDS | GIVAUDAN SA (CH) | 2012-06-28 | — | — | WO | claimed |
| EP-2655307-B1 | COMPOUNDS CAPABLE OF RELEASING FRAGRANT COMPOUNDS | GIVAUDAN SA (CH) | 2018-08-01 | — | — | EP | disclosed |
| US-9193935-B2 | Compounds capable of releasing fragrant compounds | GIVAUDAN S.A. (CH) | 2015-11-24 | — | — | US | disclosed |
| US-20130316938-A1 | Compounds Capable Of Releasing Fragrant Compounds | GIVAUDAN S.A. (CH) | 2013-11-28 | — | — | US | disclosed |
| EP-2655307-A1 | COMPOUNDS CAPABLE OF RELEASING FRAGRANT COMPOUNDS | Givaudan SA (CH) | 2013-10-30 | — | — | EP | disclosed |
| WO-2012085857-A1 | 3,8-DIAZA-BICYCLO[4.2.0]OCT-3-YL AMIDES | ACTELION PHARMACEUTICALS LTD (CH) | 2012-06-28 | — | — | WO | disclosed |
| WO-2012085287-A1 | COMPOUNDS CAPABLE OF RELEASING FRAGRANT COMPOUNDS | GIVAUDAN SA (CH) | 2012-06-28 | — | — | WO | disclosed |