Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Dodecane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 11/20 | 0.46 |
| ▸ | CA9 | Q16790 | 8/20 | 0.46 |
| ▸ | CA12 | O43570 | 4/20 | 0.46 |
| ▸ | CA7 | P43166 | 4/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.46 |
| ▸ | CA1 | P00915 | 10/20 | 0.45 |
| ▸ | CA3 | P07451 | 2/20 | 0.43 |
| ▸ | CA4 | P22748 | 2/20 | 0.43 |
| ▸ | CA6 | P23280 | 2/20 | 0.43 |
| ▸ | CA5A | P35218 | 2/20 | 0.43 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.43 |
| ▸ | PPARA | Q07869 | 2/20 | 0.43 |
| ▸ | FAAH | O00519 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Octane SCHEMBL10634241 | 0.97 | EPHX1 (0.48) | EPHX1CA2CA9CA12CA7 | |
| Dodecane SCHEMBL27985012 | 0.97 | EPHX1 (0.48) | EPHX1CA2CA9CA12CA7 | |
| Trimethylammonium SCHEMBL27565841 | 0.90 | EPHX1 (0.43) | EPHX1CA2CA9CA12CA7 | |
| Docosanol SCHEMBL28338173 | 0.88 | LMNA (0.59) | EPHX1CA2CA9CA12CA7 | |
| Tridecan-1-Ol SCHEMBL8355424 | 0.88 | LMNA (0.59) | EPHX1CA2CA9CA12CA7 | |
| Myristyl Alcohol SCHEMBL7520310 | 0.88 | LMNA (0.59) | EPHX1CA2CA9CA12CA7 | |
| Cetyl Alcohol SCHEMBL4774419 | 0.88 | LMNA (0.59) | EPHX1CA2CA9CA12CA7 | |
| SCHEMBL5510168 | 0.88 | LMNA (0.59) | EPHX1CA2CA9CA12CA7 | |
| SCHEMBL6895975 | 0.86 | DNM1 (0.56) | EPHX1CA2CA9CA1TSHR | |
| Hexadecylamine SCHEMBL5536863 | 0.86 | DNM1 (0.56) | EPHX1CA2CA9CA1TSHR |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108594288-A | A kind of surface has the plastic scintillant and preparation method thereof of microlens array | 西北核技术研究所 | 2018-09-28 | — | — | CN | claimed |
| CN-105350077-B | A kind of method that photonic crystal scintillator is prepared using polymer template | 同济大学 | 2018-06-26 | — | — | CN | claimed |
| CN-105350077-A | Preparation method of photonic crystal scintillator by using polymer template | UNIV TONGJI | 2016-02-24 | — | — | CN | claimed |
| CN-104893709-A | Surface treatment method for scintillator | NORTHWEST INST NUCLEAR TECH | 2015-09-09 | — | — | CN | claimed |
| CN-110068854-A | A kind of scintillation component with nested type micro-sphere array photon structure surface | 同济大学 | 2019-07-30 | — | — | CN | disclosed |
| CN-109061711-A | Directional transmissions scintillation component with surface micro-structure array and preparation method thereof | 同济大学 | 2018-12-21 | — | — | CN | disclosed |
| CN-108594288-A | A kind of surface has the plastic scintillant and preparation method thereof of microlens array | 西北核技术研究所 | 2018-09-28 | — | — | CN | disclosed |
| CN-106842384-B | A kind of composite photonic crystal structure scintillator | 同济大学 | 2018-08-24 | — | — | CN | disclosed |
| CN-108415062-A | A kind of scintillation component with photon microstructure surface | 同济大学 | 2018-08-17 | — | — | CN | disclosed |
| CN-105350077-B | A kind of method that photonic crystal scintillator is prepared using polymer template | 同济大学 | 2018-06-26 | — | — | CN | disclosed |
| CN-106842384-A | A kind of composite photonic crystal structure scintillator | 同济大学 | 2017-06-13 | — | — | CN | disclosed |
| CN-104280761-B | A kind of highlight extract efficiency scintillator utilizing surface photon structure to realize | TONGJI UNIVERSITY (CN) | 2017-01-04 | — | — | CN | disclosed |
| CN-105350077-A | Preparation method of photonic crystal scintillator by using polymer template | UNIV TONGJI | 2016-02-24 | — | — | CN | disclosed |
| CN-104893709-A | Surface treatment method for scintillator | NORTHWEST INST NUCLEAR TECH | 2015-09-09 | — | — | CN | disclosed |
| CN-104280761-A | High-light-extraction-efficiency scintillator realized by utilizing surface photon structure | UNIV TONGJI | 2015-01-14 | — | — | CN | disclosed |