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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | KCNN4 | O15554 | 2/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
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 SCHEMBL659623 | 0.98 | ALDH1A1 (0.37) | ALDH1A1HSD17B10HPGDBCL2L1CYP2A6 | |
| Phosphine SCHEMBL28051041 | 0.98 | ALDH1A1 (0.37) | ALDH1A1HSD17B10HPGDBCL2L1CYP2A6 | |
| Iodide SCHEMBL28849490 | 0.96 | ALDH1A1 (0.35) | ALDH1A1HSD17B10HPGDBCL2L1CYP2A6 | |
| Hydrochloric Acid SCHEMBL28151763 | 0.96 | ALDH1A1 (0.35) | ALDH1A1HSD17B10HPGDBCL2L1CYP2A6 | |
| SCHEMBL411476 | 0.96 | ALDH1A1 (0.38) | ALDH1A1HSD17B10HPGDBCL2L1CYP2A6 | |
| Hydrochloric Acid SCHEMBL465147 | 0.94 | ALDH1A1 (0.37) | ALDH1A1HSD17B10HPGDBCL2L1CYP2A6 | |
| SCHEMBL2571569 | 0.94 | ALDH1A1 (0.37) | ALDH1A1HSD17B10HPGDBCL2L1CYP2A6 | |
| Water SCHEMBL10839715 | 0.94 | ALDH1A1 (0.37) | ALDH1A1HSD17B10HPGDBCL2L1CYP2A6 | |
| Iodide SCHEMBL3443160 | 0.94 | ALDH1A1 (0.37) | ALDH1A1HSD17B10HPGDBCL2L1CYP2A6 | |
| SCHEMBL28235794 | 0.94 | ALDH1A1 (0.37) | ALDH1A1HSD17B10HPGDBCL2L1CYP2A6 |
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-106276966-B | A kind of alkali metal-free system synthetic method of transgranular phosphorous ZSM-5 molecular sieve | 中国石油化工股份有限公司 | 2019-03-22 | — | — | CN | claimed |
| CN-107075024-A | Include the curable compositions of the EVAc containing epoxy radicals | 阿朗新科德国有限责任公司 | 2017-08-18 | — | — | CN | claimed |
| CN-106607081-A | Method for modifying ZSM-5 molecular sieve through organophosphorous compound | 中国石油化工股份有限公司 | 2017-05-03 | — | — | CN | claimed |
| CN-106276966-A | The alkali metal-free system synthetic method of the ZSM-5 molecular sieve that a kind of intracrystalline is phosphorous | 中国石油化工股份有限公司 | 2017-01-04 | — | — | CN | claimed |
| CN-104725223-A | Preparation method for methylene diacetate | CHANGSHU CHANGJI CHEMICALS CO LTD | 2015-06-24 | — | — | CN | claimed |
| CN-110431132-A | Method for stabilizing composition containing high-purity ethylene carbonate | MITSUBISHI CHEM CORP | 2019-11-08 | — | — | CN | disclosed |
| CN-106607081-B | A kind of method of organic phosphorus compound modified zsm-5 zeolite | 中国石油化工股份有限公司 | 2019-05-21 | — | — | CN | disclosed |
| CN-106607081-B | A kind of method of organic phosphorus compound modified zsm-5 zeolite | 中国石油化工股份有限公司 | 2019-05-21 | — | — | CN | disclosed |
| CN-106276966-B | A kind of alkali metal-free system synthetic method of transgranular phosphorous ZSM-5 molecular sieve | 中国石油化工股份有限公司 | 2019-03-22 | — | — | CN | disclosed |
| CN-108456193-A | The manufacturing method of five thia cycloheptane of 1,2,3,5,6- | 三菱瓦斯化学株式会社 | 2018-08-28 | — | — | CN | disclosed |
| CN-107075024-A | Include the curable compositions of the EVAc containing epoxy radicals | 阿朗新科德国有限责任公司 | 2017-08-18 | — | — | CN | disclosed |
| CN-106607081-A | Method for modifying ZSM-5 molecular sieve through organophosphorous compound | 中国石油化工股份有限公司 | 2017-05-03 | — | — | CN | disclosed |
| CN-106276966-A | The alkali metal-free system synthetic method of the ZSM-5 molecular sieve that a kind of intracrystalline is phosphorous | 中国石油化工股份有限公司 | 2017-01-04 | — | — | CN | disclosed |
| CN-101646714-B | Novel thermoplastic polyhydroxypolyether resin and resin composition containing the same | NIPPON STEEL & SUMIKIN CHEMICAL CO.,LTD. (JP) | 2015-12-09 | — | — | CN | disclosed |
| CN-104725223-A | Preparation method for methylene diacetate | CHANGSHU CHANGJI CHEMICALS CO LTD | 2015-06-24 | — | — | CN | disclosed |