Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.86 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.86 |
| ▸ | ESR1 | P03372 | 4/20 | 0.60 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | DRD1 | P21728 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 4/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA9 | Q16790 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | CA3 | P07451 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL28010861 | 1.00 | TDP1 (0.86) | TDP1CYP3A4ESR1ESR2KDM4E | |
| Phosphine SCHEMBL27888053 | 0.96 | TDP1 (0.92) | TDP1CYP3A4ESR1ESR2KDM4E | |
| Bromide SCHEMBL64728 | 0.96 | TDP1 (0.92) | TDP1CYP3A4ESR1ESR2KDM4E | |
| Bromide SCHEMBL71504 | 0.96 | TDP1 (0.92) | TDP1CYP3A4ESR1ESR2KDM4E | |
| Bromide SCHEMBL1409549 | 0.96 | TDP1 (0.92) | TDP1CYP3A4ESR1ESR2KDM4E | |
| Bromide SCHEMBL28046864 | 0.96 | TDP1 (0.92) | TDP1CYP3A4ESR1ESR2KDM4E | |
| Bromide SCHEMBL1409552 | 0.96 | TDP1 (0.92) | TDP1CYP3A4ESR1ESR2KDM4E | |
| Bromide SCHEMBL3314443 | 0.96 | TDP1 (0.92) | TDP1CYP3A4ESR1ESR2KDM4E | |
| Phosphine SCHEMBL480827 | 0.96 | TDP1 (0.92) | TDP1CYP3A4ESR1ESR2KDM4E | |
| Bromide SCHEMBL64729 | 0.96 | TDP1 (0.92) | TDP1CYP3A4ESR1ESR2KDM4E |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109734599-A | The synthetic method of one kind (Z/E) -8- dodecylene -1- alcohol acetate compound | 山东省农药科学研究院 | 2019-05-10 | — | — | CN | claimed |
| CN-108299195-A | A kind of synthetic method of sex pheromone of Ostrinia furnacalis | 山东省农药科学研究院 | 2018-07-20 | — | — | CN | claimed |
| CN-103626658-B | Synthetic method for (Z/E)-8-dodecylene-1-ol acetate compound | SHANDONG ACADEMY OF PESTICIDE SCIENCES | 2015-05-06 | — | — | CN | claimed |
| CN-110857366-A | Method for manufacturing outer packaging material for electricity storage device | 昭和电工包装株式会社 | 2020-03-03 | — | — | CN | disclosed |
| CN-110858634-A | Outer packaging material for electricity storage device and electricity storage device | 昭和电工包装株式会社 | 2020-03-03 | — | — | CN | disclosed |
| CN-110114365-A | HYDROXYBENZOIC ACID DERIVATIVES, METHODS AND USES THEREOF | 波尔图大学 | 2019-08-09 | — | — | CN | disclosed |
| CN-109734599-A | The synthetic method of one kind (Z/E) -8- dodecylene -1- alcohol acetate compound | 山东省农药科学研究院 | 2019-05-10 | — | — | CN | disclosed |
| CN-108484468-A | The preparation method of aryl azetidin compounds | 南京大学 | 2018-09-04 | — | — | CN | disclosed |
| CN-108299195-A | A kind of synthetic method of sex pheromone of Ostrinia furnacalis | 山东省农药科学研究院 | 2018-07-20 | — | — | CN | disclosed |
| CN-108299195-A | A kind of synthetic method of sex pheromone of Ostrinia furnacalis | 山东省农药科学研究院 | 2018-07-20 | — | — | CN | disclosed |
| CN-105969404-B | Liquid crystal aligning agent, liquid crystal alignment film formed by liquid crystal aligning agent and liquid crystal display element | 奇美实业股份有限公司 | 2018-03-23 | — | — | CN | disclosed |
| CN-107743492-A | Method for preparing acryloxy silane | 美国道康宁公司 | 2018-02-27 | — | — | CN | disclosed |
| CN-102001916-B | As the indene derivative of pharmaceutically active agents | AQUINOX PHARMACEUTICALS INC. (CA) | 2016-03-30 | — | — | CN | disclosed |
| CN-103626658-B | Synthetic method for (Z/E)-8-dodecylene-1-ol acetate compound | SHANDONG ACADEMY OF PESTICIDE SCIENCES | 2015-05-06 | — | — | CN | disclosed |