Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | CTSK | P43235 | 3/20 | 0.39 |
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.37 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | MMP13 | P45452 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | MLYCD | O95822 | 1/20 | 0.35 |
| ▸ | CTSG | P08311 | 2/20 | 0.35 |
| ▸ | CMA1 | P23946 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.35 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6796742 | 0.80 | CTSK (0.43) | SMN1; SMN2CTSKMBOAT4MMP1MMP9 | |
| SCHEMBL4245984 | 0.80 | CTSK (0.43) | SMN1; SMN2CTSKMBOAT4MMP1MMP9 | |
| SCHEMBL28357907 | 0.79 | CTSK (0.44) | SMN1; SMN2CTSKMMP1MMP9MMP13 | |
| SCHEMBL16100740 | 0.76 | RAB9A (0.41) | NPC1RAB9ASMN1; SMN2MMP1MMP9 | |
| SCHEMBL5705633 | 0.76 | THRA (0.50) | MEN1KMT2A | |
| SCHEMBL624141 | 0.75 | CTSK (0.45) | SMN1; SMN2CTSKMMP1MMP9MMP13 | |
| SCHEMBL1409972 | 0.74 | CYP2C9 (0.49) | NPC1RAB9ASMN1; SMN2MLYCDHTT | |
| SCHEMBL8844556 | 0.71 | RAB9A (0.42) | NPC1RAB9ASMN1; SMN2HTTLMNA | |
| Hexane SCHEMBL811498 | 0.71 | CES1 (0.53) | CTSGCMA1LMNAPRSS1CTRB1 | |
| SCHEMBL54909 | 0.71 | CYP2C9 (0.50) | RAB9ASMN1; SMN2HTTLMNAMEN1 |
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 |