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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.46 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.46 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.46 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.46 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.46 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.46 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.46 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 2/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.46 |
| ▸ | DRD3 | P35462 | 2/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | DRD1 | P21728 | 1/20 | 0.46 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | SETD7 | Q8WTS6 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 4/20 | 0.43 |
| ▸ | HTR2C | P28335 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11251599 | 0.99 | OPRM1 (0.47) | OPRM1DRD3CHRM2HTR1AADRA2A | |
| Bromide SCHEMBL11256460 | 0.86 | HTR2A (0.56) | OPRM1DRD3CHRM2HTR1AADRA2A | |
| Bromide SCHEMBL11258479 | 0.86 | HRH1 (0.47) | OPRM1DRD3CHRM2HTR1AADRA2A | |
| SCHEMBL11250474 | 0.85 | HTR2A (0.56) | OPRM1DRD3CHRM2HTR1AADRA2A | |
| SCHEMBL11247919 | 0.85 | HRH1 (0.48) | OPRM1DRD3CHRM2HTR1AADRA2A | |
| SCHEMBL7680939 | 0.83 | OPRM1 (0.46) | OPRM1DRD3CHRM2HTR1AADRA2A | |
| Bromide SCHEMBL11428072 | 0.83 | HTR2A (0.42) | OPRM1DRD3CHRM2HTR1AADRA2A | |
| SCHEMBL11241236 | 0.83 | HTR2A (0.42) | CYP2D6CYP2C19HTR2ACYP3A4HRH1 | |
| Bromide SCHEMBL11298922 | 0.81 | SIGMAR1 (0.53) | OPRM1CHRM2ADRA2ACYP2D6DRD1 | |
| Bromide SCHEMBL11253808 | 0.80 | L3MBTL1 (0.41) | OPRM1SLC6A2SLC6A4HTR2AHTR2C |
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-B1 | SPIRO(DIBENZO(B,F)THIEPINE-PIPERIDINES), INTERMEDIATE PRODUCTS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM | HOECHST AKTIENGESELLSCHAFT (DE) | 1982-11-17 | — | — | EP | disclosed |
| US-4198420-A | Spiro[dibenz(b,f)thiepin-piperidine]s | AMERICAN HOECHST CORPORATION (US) | 1980-04-15 | — | — | US | disclosed |