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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 4/20 | 0.44 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.44 |
| ▸ | MGLL | Q99685 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.35 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.35 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.35 |
| ▸ | CSNK2A3 | Q8NEV1 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL939264 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL16830281 | 0.95 | GABRA1 (0.44) | GABRA1GABRB2MGLLMAPTTP53 | |
| Hydrochloric Acid SCHEMBL27878367 | 0.95 | GABRA1 (0.44) | GABRA1GABRB2MGLLMAPTTP53 | |
| Iodide SCHEMBL18670641 | 0.95 | GABRA1 (0.44) | GABRA1GABRB2MGLLMAPTTP53 | |
| Ethylbenzene SCHEMBL15520454 | 0.86 | TP53 (0.61) | GABRA1GABRB2TP53TAAR1ALDH1A1 | |
| Bromide SCHEMBL8602059 | 0.80 | TAAR1 (0.37) | TAAR1ALDH1A1GAA | |
| Bromide SCHEMBL28322657 | 0.80 | GABRA1 (0.55) | GABRA1GABRB2MGLLMAPTTP53 | |
| SCHEMBL20786839 | 0.78 | CSNK2A2 (0.43) | GABRA1GABRB2MGLLMAPTTP53 | |
| Bromide SCHEMBL28584933 | 0.78 | GABRA1 (0.44) | GABRA1GABRB2MGLLTP53ALDH1A1 | |
| SCHEMBL940845 | 0.77 | TAAR1 (0.38) | TAAR1ALDH1A1GAA |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110023425-B | Thermosetting powder coating compositions comprising dilauroyl peroxide | 帝斯曼知识产权资产管理有限公司 | 2021-09-24 | — | — | CN | disclosed |
| CN-113416296-A | Water-soluble epoxy resin, preparation method thereof and water-based primer composition containing same | ＫＣＣ公司 | 2021-09-21 | — | — | CN | disclosed |
| CN-109983089-B | Thermosetting powder coating compositions comprising peroxydicarbonates | 帝斯曼知识产权资产管理有限公司 | 2021-07-23 | — | — | CN | disclosed |
| US-7771769-B2 | Flavouring a foodstuff by incorporating an effective amount of at least one compound of the formula R1-S-R2 in which R1 and R2 represent a specific atom or group | QUEST INTERNATIONAL B.V. (NL) | 2010-08-10 | — | — | US | disclosed |
| US-20100143563-A1 | FLAVOURING A FOODSTUFF BY INCORPORATING AN EFFECTIVE AMOUNT OF AT LEAST ONE COMPOUND OF THE FORMULA R1-S-R2 IN WHICH R1 AND R2 REPRESENT A SPECIFIC ATOM OR GROUP | QUEST INTERNATIONAL B.V. (NL) | 2010-06-10 | — | — | US | disclosed |
| US-20040052914-A1 | Flavouring a foodstuff by incorporating an effective amount of at least one compound of the formula r1-s-r2 in which r1 and r2 represent a specific atom or group | QUEST INTERNATIONAL B.V. (NL) | 2004-03-18 | — | — | US | disclosed |
| WO-2001076390-A2 | FLAVOURING A FOODSTUFF WITH COMPOUNDS CONTAINING A SULFUR ATOM LINKED TO TWO SPECIFIC ATOMS OR GROUPS | QUEST INTERNATIONAL B.V. (NL) | 2001-10-18 | — | — | WO | disclosed |
| EP-1142490-A1 | Flavouring a foodstuff with compounds containing a sulphur atom linked to two specific atoms or groups | QUEST INTERNATIONAL B.V. (NL) | 2001-10-10 | — | — | EP | disclosed |
| US-4355182-A | Hydroxy-substituted phosphoranes and salts | G.D. SEARLE & CO. (US) | 1982-10-19 | — | — | US | disclosed |