Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 2/20 | 0.39 |
| ▸ | CES1 | P23141 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | ASAH1 | Q13510 | 2/20 | 0.39 |
| ▸ | ACER2 | Q5QJU3 | 1/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | USP5 | P45974 | 1/20 | 0.37 |
| ▸ | FAAH | O00519 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16100739 | 0.76 | NPC1 (0.41) | RAB9ANPC1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL17667512 | 0.73 | FAAH (0.45) | RAB9ANPC1SMN1; SMN2CES2CES1 | |
| SCHEMBL28384279 | 0.72 | CES2 (0.53) | EPHX2CES2CES1FAAH | |
| SCHEMBL5705633 | 0.72 | THRA (0.50) | MEN1KMT2AALDH1A1 | |
| SCHEMBL11253099 | 0.72 | EPHX2 (0.54) | EPHX2CES2CES1MEN1KMT2A | |
| SCHEMBL1618561 | 0.71 | RAB9A (0.50) | RAB9ANPC1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL11553607 | 0.71 | EPHX2 (0.47) | EPHX2CES2CES1MEN1KMT2A | |
| SCHEMBL5705634 | 0.70 | THRA (0.48) | MEN1KMT2AALDH1A1 | |
| Octanoic Acid SCHEMBL28100072 | 0.70 | GPR84 (0.59) | MEN1KMT2AALDH1A1ASAH1ACER2 | |
| SCHEMBL10457524 | 0.69 | CES1 (0.58) | EPHX2CES2CES1FAAHL3MBTL1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2928895-B1 | DERIVATIVES OF DIANHYDROHEXITOL AND THEIR USE AS CROSSLINKABLE COMPOSITIONS | ROQUETTE FRERES (FR) | 2020-01-08 | — | — | EP | disclosed |
| EP-3019501-B1 | USE OF NOVEL COMPOUNDS DERIVED FROM 1,4:3,6 DIANHYDROHEXITOL FOR THE PRODUCTION OF POLYMER COATINGS | ROQUETTE FRERES (FR) | 2018-08-08 | — | — | EP | disclosed |
| EP-2928969-B1 | CROSS-LINKABLE COMPOSITIONS BASED ON DIANHYDROHEXITOL COMPOUNDS | ROQUETTE FRERES (FR) | 2017-08-02 | — | — | EP | disclosed |
| EP-3019501-A1 | USE OF NOVEL COMPOUNDS DERIVED FROM 1,4:3,6 DIANHYDROHEXITOL FOR THE PRODUCTION OF POLYMER COATINGS | Roquette Frères (FR) | 2016-05-18 | — | — | EP | disclosed |
| EP-2976399-A1 | CROSS-LINKABLE COMPOSITIONS BASED ON COMPOUNDS OF (METH)ACRYLATED DERIVATIVES OF DIANHYDROHEXITOL | Roquette Frères (FR) | 2016-01-27 | — | — | EP | disclosed |
| WO-2015004381-A1 | USE OF NOVEL COMPOUNDS DERIVED FROM 1,4:3,6 DIANHYDROHEXITOL FOR THE PRODUCTION OF POLYMER COATINGS | ROQUETTE FRERES (FR) | 2015-01-15 | — | — | WO | disclosed |
| WO-2014147340-A1 | CROSS-LINKABLE COMPOSITIONS BASED ON COMPOUNDS OF (METH)ACRYLATED DERIVATIVES OF DIANHYDROHEXITOL | ROQUETTE FRERES (FR) | 2014-09-25 | — | — | WO | disclosed |