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 | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 2/20 | 0.35 |
| ▸ | CHRM2 known ✓ | P08172 | 2/20 | 0.35 |
| ▸ | HTR1A known ✓ | P08908 | 2/20 | 0.35 |
| ▸ | ADRA2A known ✓ | P08913 | 2/20 | 0.35 |
| ▸ | ADRA2B known ✓ | P18089 | 2/20 | 0.35 |
| ▸ | ADRA2C known ✓ | P18825 | 2/20 | 0.35 |
| ▸ | CHRM3 known ✓ | P20309 | 2/20 | 0.35 |
| ▸ | SLC6A2 known ✓ | P23975 | 2/20 | 0.35 |
| ▸ | SLC6A4 known ✓ | P31645 | 2/20 | 0.35 |
| ▸ | ADRA1A known ✓ | P35348 | 2/20 | 0.35 |
| ▸ | HTR3A known ✓ | P46098 | 2/20 | 0.35 |
| ▸ | SLC6A3 known ✓ | Q01959 | 2/20 | 0.35 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 4/20 | 0.51 |
| ▸ | HTR2A | P28223 | 3/20 | 0.51 |
| ▸ | HRH4 | Q9H3N8 | 4/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL11482097 | 0.86 | HTR2A (0.53) | HRH1HTR2AHRH4CYP1A2CYP3A4 | |
| SCHEMBL11315886 | 0.85 | HTR2A (0.54) | HRH1HTR2AHRH4CYP1A2CYP3A4 | |
| Bromide SCHEMBL11318175 | 0.84 | HTR2A (0.54) | HRH1HTR2AHRH4CYP1A2CYP3A4 | |
| Bromide SCHEMBL11245480 | 0.84 | HTR2A (0.52) | HRH1HTR2AHRH4CYP1A2CYP3A4 | |
| Bromide SCHEMBL11475283 | 0.83 | HRH1 (0.51) | HRH1HTR2AHRH4CYP1A2CYP3A4 | |
| Bromide SCHEMBL11473841 | 0.82 | HRH1 (0.56) | HRH1HTR2AHRH4CYP1A2CYP3A4 | |
| SCHEMBL11248897 | 0.81 | HRH1 (0.56) | HRH1HTR2AHRH4CYP1A2CYP3A4 | |
| Bromide SCHEMBL11249987 | 0.81 | HRH1 (0.55) | HRH1HTR2ADRD2OPRM1OPRK1 | |
| Bromide SCHEMBL11428497 | 0.81 | LMNA (0.41) | HRH1HTR2ACYP1A2CYP3A4CYP2D6 | |
| Bromide SCHEMBL11428502 | 0.81 | LMNA (0.41) | HRH1HTR2ACYP1A2CYP3A4CYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0016261-B1 | SPIRO(DIBENZ(B,F)OXEPIN-PIPERIDINES) AND METHODS OF PREPARING SAME | HOECHST AKTIENGESELLSCHAFT (DE) | 1982-12-29 | — | — | EP | disclosed |
| EP-0016261-A1 | Spiro(dibenz(b,f)oxepin-piperidines) and methods of preparing same | HOECHST AKTIENGESELLSCHAFT (DE) | 1980-10-01 | — | — | EP | disclosed |
| US-4198418-A | ANALGESICS, TRANQUILIZERS, ANTICONVULSANTS | AMERICAN HOECHST CORPORATION (US) | 1980-04-15 | — | — | US | disclosed |