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 | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.56 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | LPL | P06858 | 1/20 | 0.39 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL935811 | 0.97 | CYP2A6 (0.58) | CYP2A6HDAC8TP53TAAR1LPL | |
| SCHEMBL30530468 | 0.91 | CYP2A6 (0.52) | CYP2A6HDAC8TP53TAAR1LPL | |
| SCHEMBL20289502 | 0.82 | ALDH1A1 (0.52) | CYP2A6ALDH1A1TDP1SMN1; SMN2NPC1 | |
| Bromide SCHEMBL31124595 | 0.81 | LPL (0.43) | CYP2A6HDAC8LPLLIPGCA2 | |
| SCHEMBL13201579 | 0.80 | CYP2A6 (0.42) | CYP2A6HDAC8LPLLIPGALDH1A1 | |
| SCHEMBL670610 | 0.78 | LPL (0.45) | CYP2A6HDAC8LPLLIPGCA2 | |
| Bromide SCHEMBL27350147 | 0.78 | HDAC8 (0.56) | HDAC8CA2CA12CA1CA4 | |
| SCHEMBL3840593 | 0.76 | HDAC8 (0.43) | CYP2A6HDAC8ALDH1A1CA2TSHR | |
| SCHEMBL8228398 | 0.76 | CYP2A6 (0.64) | CYP2A6TP53TAAR1LPLLIPG | |
| SCHEMBL5050178 | 0.76 | CYP2A6 (0.64) | CYP2A6TP53TAAR1LPLLIPG |
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-109369508-A | A kind of polysubstituted indole derivatives and preparation method thereof | 安徽师范大学 | 2019-02-22 | — | — | CN | claimed |
| CN-108774272-A | A kind of ferrocene derivatives and preparation method thereof | 安徽师范大学 | 2018-11-09 | — | — | CN | claimed |
| CN-105523981-B | A kind of hexichol telluride derivative and preparation method thereof | 安徽师范大学 | 2017-12-01 | — | — | CN | claimed |
| CN-119191977-A | Bicyclic terpenoid, and synthetic method and application thereof | 安徽师范大学 | 2024-12-27 | — | — | CN | disclosed |
| CN-110683971-B | Method for synthesizing aryl acetylene alkyl sulfone compounds based on Hantzsch esters | 台州学院 | 2021-09-10 | — | — | CN | disclosed |
| CN-110683971-A | Method for synthesizing aryl acetylene alkyl sulfone compounds based on Hantzsch esters | 台州学院 | 2020-01-14 | — | — | CN | disclosed |
| CN-109651151-A | A kind of polysubstituted triphenylene derivative and preparation method thereof | 安徽师范大学 | 2019-04-19 | — | — | CN | disclosed |
| CN-109369508-A | A kind of polysubstituted indole derivatives and preparation method thereof | 安徽师范大学 | 2019-02-22 | — | — | CN | disclosed |
| CN-108821975-A | A kind of hydrogenation phenanthrene derivatives and preparation method thereof containing exocyclic double bond | 安徽师范大学 | 2018-11-16 | — | — | CN | disclosed |
| CN-108774272-A | A kind of ferrocene derivatives and preparation method thereof | 安徽师范大学 | 2018-11-09 | — | — | CN | disclosed |
| CN-108774189-A | Yi Zhong oxazine phenylate derivatives and preparation method thereof | 安徽师范大学 | 2018-11-09 | — | — | CN | disclosed |
| CN-108727197-A | A kind of cycloheptadiene is together with derovatives and preparation method thereof | 安徽师范大学 | 2018-11-02 | — | — | CN | disclosed |
| CN-106167459-B | A method of synthesis alkenyl thiocyanates derivative | 华南理工大学 | 2018-09-14 | — | — | CN | disclosed |
| CN-105523981-B | A kind of hexichol telluride derivative and preparation method thereof | 安徽师范大学 | 2017-12-01 | — | — | CN | disclosed |