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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | CHRNA7 | P36544 | 6/20 | 0.47 |
| ▸ | CHRNB4 | P30926 | 5/20 | 0.47 |
| ▸ | CHRNA3 | P32297 | 5/20 | 0.47 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
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 SCHEMBL653936 | 1.00 | KDM4E (0.52) | KDM4EALDH1A1TDP1CYP1A2TP53 | |
| Bromide SCHEMBL28298659 | 0.98 | KDM4E (0.50) | KDM4EALDH1A1TDP1CYP1A2TP53 | |
| Bromide SCHEMBL27697911 | 0.98 | KDM4E (0.50) | KDM4EALDH1A1TDP1CYP1A2TP53 | |
| Bromide SCHEMBL28903213 | 0.98 | KDM4E (0.50) | KDM4EALDH1A1TDP1CYP1A2TP53 | |
| Bromide SCHEMBL653935 | 0.98 | CHRNA7 (0.50) | KDM4EALDH1A1TDP1CYP1A2TP53 | |
| Bromide SCHEMBL27715865 | 0.98 | KDM4E (0.50) | KDM4EALDH1A1TDP1CYP1A2TP53 | |
| Bromide SCHEMBL3641373 | 0.98 | KDM4E (0.50) | KDM4EALDH1A1TDP1CYP1A2TP53 | |
| SCHEMBL81238 | 0.97 | KDM4E (0.54) | KDM4EALDH1A1TDP1CYP1A2TP53 | |
| Hydrogen Sulfide SCHEMBL5998579 | 0.97 | KDM4E (0.54) | KDM4EALDH1A1TDP1CYP1A2TP53 | |
| Benzene SCHEMBL29130108 | 0.97 | KDM4E (0.54) | KDM4EALDH1A1TDP1CYP1A2TP53 |
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-109950564-A | A kind of PtRhFe ternary alloy catalyst preparation method, catalyst and the formula of MXene load | 中山大学 | 2019-06-28 | — | — | CN | claimed |
| CN-106279139-B | It can be used as the compound and its preparation method and application of SGLT2 inhibitor | 湘潭大学 | 2018-12-28 | — | — | CN | claimed |
| CN-103328483-B | Process for preparing dithiine tetracarboximides | 拜耳知识产权有限责任公司 | 2016-09-14 | — | — | CN | claimed |
| CN-107540670-B | Preparation method of 1- (3-chloropyrazolo [1,5a ] -4,5,6, 7-tetrahydropyridine-2-yl) -5-methylamine pyrazole-4-carbonitrile | 湖北相和精密化学有限公司 | 2021-08-13 | — | — | CN | disclosed |
| CN-110467608-A | A kind of synthetic method of emtricitabine | WUHAN INST TECHNOLOGY | 2019-11-19 | — | — | CN | disclosed |
| CN-110437216-A | A kind of synthetic method of Lamivudine | WUHAN INST TECHNOLOGY | 2019-11-12 | — | — | CN | disclosed |
| CN-109776318-A | A kind of synthetic method of tetrabromobenzoic acid -2- ethylhexyl | 山东润科化工股份有限公司 | 2019-05-21 | — | — | CN | disclosed |
| CN-109337333-A | A kind of medical model framework material and preparation method thereof | 北京高康科技发展有限公司 | 2019-02-15 | — | — | CN | disclosed |
| CN-106478547-B | A kind of 2- methylsulfonyl -5- Trifluoromethyl-1, the synthetic method of 3,4- thiadiazoles | 京博农化科技股份有限公司 | 2019-02-01 | — | — | CN | disclosed |
| CN-108192075-A | Method for refining ultrahigh-purity epoxy resin | 惠柏新材料科技（上海）股份有限公司 | 2018-06-22 | — | — | CN | disclosed |
| CN-108148487-A | A kind of dry-mixed extinction powder coating and preparation method thereof | 安徽神剑新材料股份有限公司 | 2018-06-12 | — | — | CN | disclosed |
| CN-105566237-B | A kind of preparation method for the triazole mercapto phenylacetic acid compound for treating gout | 山东大学 | 2018-05-18 | — | — | CN | disclosed |
| CN-104449517-B | A kind of ultraviolet light solidification repair sheets and preparation method thereof | 国家电网公司 | 2018-02-23 | — | — | CN | disclosed |
| CN-106478547-A | A kind of synthetic method of 2 methylsulfonyl, 5 trifluoromethyl, 1,3,4 thiadiazoles | 京博农化科技股份有限公司 | 2017-03-08 | — | — | CN | disclosed |