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 | |
|---|---|---|---|---|
| ▸ | HTR1A known ✓ | P08908 | 4/20 | 0.53 |
| ▸ | ADRA2A known ✓ | P08913 | 3/20 | 0.53 |
| ▸ | ADRA2B known ✓ | P18089 | 3/20 | 0.53 |
| ▸ | ADRA2C known ✓ | P18825 | 3/20 | 0.53 |
| ▸ | SLC6A2 known ✓ | P23975 | 3/20 | 0.53 |
| ▸ | SLC6A4 known ✓ | P31645 | 3/20 | 0.53 |
| ▸ | ADRA1A known ✓ | P35348 | 2/20 | 0.53 |
| ▸ | SLC6A3 known ✓ | Q01959 | 2/20 | 0.53 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.47 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 4/20 | 0.39 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 6/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.53 |
| ▸ | LMNA | P02545 | 5/20 | 0.53 |
| ▸ | HRH1 | P35367 | 4/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.53 |
| ▸ | DRD2 | P14416 | 4/20 | 0.53 |
| ▸ | HTR2C | P28335 | 4/20 | 0.53 |
| ▸ | HTR2B | P41595 | 4/20 | 0.53 |
| ▸ | HTR6 | P50406 | 4/20 | 0.53 |
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 SCHEMBL11433552 | 0.90 | HTR2A (0.41) | HTR2ACYP2D6LMNAHRH1CYP1A2 | |
| Bromide SCHEMBL11428072 | 0.88 | HTR2A (0.42) | HTR2ACYP2D6LMNAHRH1CYP1A2 | |
| Bromide SCHEMBL11441013 | 0.87 | HPGD (0.42) | HTR2ACYP2D6LMNAHRH1CYP1A2 | |
| SCHEMBL11441053 | 0.87 | SIGMAR1 (0.53) | HTR2ACYP2D6LMNAHRH1CYP1A2 | |
| SCHEMBL11255411 | 0.86 | HPGD (0.43) | HTR2ACYP2D6LMNAHRH1CYP1A2 | |
| Bromide SCHEMBL11258479 | 0.86 | HRH1 (0.47) | HTR2ACYP2D6LMNAHRH1CYP1A2 | |
| SCHEMBL11247919 | 0.85 | HRH1 (0.48) | HTR2ACYP2D6LMNAHRH1CYP1A2 | |
| Bromide SCHEMBL11242155 | 0.84 | HPGD (0.40) | HTR2ACYP2D6LMNAHRH1CYP1A2 | |
| Bromide SCHEMBL11428497 | 0.84 | LMNA (0.41) | HTR2ACYP2D6LMNAHRH1CYP1A2 | |
| Bromide SCHEMBL11428502 | 0.84 | LMNA (0.41) | HTR2ACYP2D6LMNAHRH1CYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0013424-A1 | Spiro(dibenzo(b,f)thiepine-piperidines), intermediate products for their preparation and medicaments containing them | HOECHST AKTIENGESELLSCHAFT (DE) | 1980-07-23 | — | — | EP | disclosed |
| US-4198420-A | Spiro[dibenz(b,f)thiepin-piperidine]s | AMERICAN HOECHST CORPORATION (US) | 1980-04-15 | — | — | US | disclosed |