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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 6/20 | 0.44 |
| ▸ | OPRL1 | P41146 | 13/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 7/20 | 0.48 |
| ▸ | OPRK1 | P41145 | 6/20 | 0.48 |
| ▸ | DRD2 | P14416 | 4/20 | 0.44 |
| ▸ | HTR2A | P28223 | 2/20 | 0.41 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
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 SCHEMBL11249987 | 0.88 | HRH1 (0.55) | OPRL1OPRM1OPRK1SIGMAR1DRD2 | |
| SCHEMBL11244394 | 0.87 | HRH1 (0.56) | OPRL1OPRM1OPRK1SIGMAR1DRD2 | |
| Bromide SCHEMBL11488069 | 0.82 | HTR2A (0.39) | OPRL1OPRM1OPRK1SIGMAR1DRD2 | |
| Bromide SCHEMBL11478623 | 0.81 | SIGMAR1 (0.46) | SIGMAR1DRD2HTR2AHRH1 | |
| SCHEMBL11316484 | 0.81 | HTR2A (0.40) | OPRL1OPRM1OPRK1SIGMAR1DRD2 | |
| Bromide SCHEMBL11476443 | 0.80 | SIGMAR1 (0.53) | OPRM1SIGMAR1DRD2HTR2AHTR2C | |
| Bromide SCHEMBL11253158 | 0.80 | SETD7 (0.46) | OPRM1SIGMAR1DRD2HTR2AHRH1 | |
| Bromide SCHEMBL11252969 | 0.79 | OPRL1 (0.48) | OPRL1OPRM1OPRK1SIGMAR1DRD2 | |
| SCHEMBL11258495 | 0.78 | SETD7 (0.47) | OPRM1SIGMAR1DRD2HTR2AHRH1 | |
| Bromide SCHEMBL11490261 | 0.77 | SMN1; SMN2 (0.44) | SIGMAR1DRD2HTR2AHRH1 |
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 |