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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.43 |
| ▸ | HTR2A | P28223 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.39 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.39 |
| ▸ | NAAA | Q02083 | 2/20 | 0.39 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 1/20 | 0.37 |
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 SCHEMBL28709793 | 1.00 | SIGMAR1 (0.46) | SIGMAR1KCNH2HTR2AMEN1ALDH1A1 | |
| Bromide SCHEMBL28712119 | 1.00 | SIGMAR1 (0.46) | SIGMAR1KCNH2HTR2AMEN1ALDH1A1 | |
| Bromide SCHEMBL28700505 | 1.00 | SIGMAR1 (0.46) | SIGMAR1KCNH2HTR2AMEN1ALDH1A1 | |
| Bromide SCHEMBL28704238 | 1.00 | SIGMAR1 (0.46) | SIGMAR1KCNH2HTR2AMEN1ALDH1A1 | |
| Bromide SCHEMBL28694187 | 1.00 | SIGMAR1 (0.46) | SIGMAR1KCNH2HTR2AMEN1ALDH1A1 | |
| Bromide SCHEMBL28710127 | 1.00 | SIGMAR1 (0.46) | SIGMAR1KCNH2HTR2AMEN1ALDH1A1 | |
| Bromide SCHEMBL28705371 | 1.00 | SIGMAR1 (0.46) | SIGMAR1KCNH2HTR2AMEN1ALDH1A1 | |
| Bromide SCHEMBL28710071 | 1.00 | SIGMAR1 (0.46) | SIGMAR1KCNH2HTR2AMEN1ALDH1A1 | |
| Bromide SCHEMBL28935313 | 1.00 | SIGMAR1 (0.46) | SIGMAR1KCNH2HTR2AMEN1ALDH1A1 | |
| Bromide SCHEMBL28694190 | 1.00 | SIGMAR1 (0.46) | SIGMAR1KCNH2HTR2AMEN1ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110240681-B | Composite demulsifier, composition and application thereof | 中国石油化工股份有限公司 | 2022-03-11 | — | — | CN | disclosed |