Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | TPMT | P51580 | 1/20 | 0.35 |
| ▸ | SELL | P14151 | 1/20 | 0.33 |
| ▸ | SELP | P16109 | 1/20 | 0.33 |
| ▸ | SELE | P16581 | 1/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.33 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.33 |
| ▸ | C1S | P09871 | 1/20 | 0.33 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.33 |
| ▸ | RAPGEF4 | Q8WZA2 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | CCR6 | P51684 | 1/20 | 0.31 |
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 SCHEMBL7525110 | 0.76 | ALDH1A1 (0.57) | ALDH1A1TSHRACHETPMTSELL | |
| Bromide SCHEMBL12506211 | 0.76 | ALDH1A1 (0.57) | ALDH1A1TSHRACHETPMTSELL | |
| SCHEMBL341533 | 0.76 | ALDH1A1 (0.67) | ALDH1A1TSHRACHETPMTSELL | |
| SCHEMBL26115 | 0.76 | — | — | |
| SCHEMBL25403949 | 0.71 | ALDH1A1 (0.61) | ALDH1A1TSHRACHETPMTSELL | |
| SCHEMBL23202758 | 0.71 | ALDH1A1 (0.61) | ALDH1A1TSHRACHETPMTSELL | |
| SCHEMBL432597 | 0.71 | ALDH1A1 (0.61) | ALDH1A1TSHRACHETPMTSELL | |
| SCHEMBL23202757 | 0.71 | ALDH1A1 (0.61) | ALDH1A1TSHRACHETPMTSELL | |
| Hydrochloric Acid SCHEMBL2443762 | 0.71 | ALDH1A1 (0.61) | ALDH1A1TSHRACHETPMTSELL | |
| SCHEMBL2380926 | 0.71 | ALDH1A1 (0.61) | ALDH1A1TSHRACHETPMTSELL |
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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108409764-B | Organic photosensitizer capable of forming C-X bond by concerted catalysis with metallic nickel and synthetic method thereof | 陕西师范大学 | 2020-07-28 | — | — | CN | claimed |
| CN-108314654-A | A kind of intermediate and its preparation method and application being used to prepare Medetomidine | 山东百诺医药股份有限公司 | 2018-07-24 | — | — | CN | claimed |
| CN-108017549-A | A kind of preparation method of 1- aryl -2- amino -1,3- propanediol hydrochloride derivatives | 南通常佑药业科技有限公司 | 2018-05-11 | — | — | CN | claimed |
| CN-106380790-B | A kind of liquid crystal polyester moulding compound and its application | 金发科技股份有限公司 | 2018-01-23 | — | — | CN | claimed |
| CN-103665037-B | A kind of preparation method of 2,2 '-bis-[(3,5-xylyl) phosphorus] dinaphthalene | RAFFLES PHARMATECH CO., LTD. (CN) | 2016-04-20 | — | — | CN | claimed |
| CN-103665037-A | Method for preparing 2, 2'-bis [(3, 5-xylyl) phosphorus) dinaphthalene | RAFFLES PHARMA TECH CO LTD | 2014-03-26 | — | — | CN | claimed |
| CN-115335365-B | Aminocyclobutane as monoacylglycerol lipase modulators | 詹森药业有限公司 | 2024-06-18 | — | — | CN | disclosed |
| US-11981801-B2 | Polypropylene composition | BOREALIS AG (AT) | 2024-05-14 | — | — | US | disclosed |
| CN-113896607-B | Olefin oligomerization process using a catalyst comprising a chromium complex having a phosphacycle-containing ligand | 陶氏环球技术有限责任公司 | 2024-04-16 | — | — | CN | disclosed |
| CN-117645607-A | Electroluminescent material and application thereof | 北京燕化集联光电技术有限公司 | 2024-03-05 | — | — | CN | disclosed |
| CN-117535046-A | Luminescent material composition and application thereof | 北京燕化集联光电技术有限公司 | 2024-02-09 | — | — | CN | disclosed |
| CN-114380733-B | Chiral beta-amino acid derivative and preparation method thereof | 常州大学 | 2024-01-26 | — | — | CN | disclosed |
| US-20230242748-A1 | POLYPROPYLENE COMPOSITION | BOREALIS AG (AT) | 2023-08-03 | — | — | US | disclosed |
| CN-106187901-B | Preparation method of dexmedetomidine and intermediate thereof | 江苏恒瑞医药股份有限公司 | 2017-06-06 | — | — | CN | disclosed |
| CN-105218453-B | Method for preparation of medetomidine with chloroacetone | 隆萨有限公司 | 2017-04-12 | — | — | CN | disclosed |
| CN-104610479-B | Supported metallocene catalyst for vinyl polymerization and its preparation method and application | 中国石油化工股份有限公司 | 2017-03-29 | — | — | CN | disclosed |
| CN-106187901-A | Preparation method of dexmedetomidine and intermediate thereof | 江苏恒瑞医药股份有限公司 | 2016-12-07 | — | — | CN | disclosed |
| CN-103665037-B | A kind of preparation method of 2,2 '-bis-[(3,5-xylyl) phosphorus] dinaphthalene | RAFFLES PHARMATECH CO., LTD. (CN) | 2016-04-20 | — | — | CN | disclosed |
| CN-103665037-B | A kind of preparation method of 2,2 '-bis-[(3,5-xylyl) phosphorus] dinaphthalene | RAFFLES PHARMATECH CO., LTD. (CN) | 2016-04-20 | — | — | CN | disclosed |
| CN-103665037-A | Method for preparing 2, 2'-bis [(3, 5-xylyl) phosphorus) dinaphthalene | RAFFLES PHARMA TECH CO LTD | 2014-03-26 | — | — | CN | disclosed |