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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 5/20 | 0.43 |
| ▸ | SETD7 | Q8WTS6 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 3/20 | 0.43 |
| ▸ | HTR2C | P28335 | 2/20 | 0.43 |
| ▸ | HTR2B | P41595 | 2/20 | 0.43 |
| ▸ | DRD2 | P14416 | 5/20 | 0.42 |
| ▸ | DRD4 | P21917 | 5/20 | 0.42 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.41 |
| ▸ | HRH1 | P35367 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | AVPR1A | P37288 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11258495 | 0.99 | SETD7 (0.47) | SETD7SIGMAR1HTR2AHTR2CHTR2B | |
| Bromide SCHEMBL11473841 | 0.86 | HRH1 (0.56) | SETD7HTR2AHTR2CHTR2BDRD2 | |
| Bromide SCHEMBL11309721 | 0.86 | HTR2A (0.42) | SETD7SIGMAR1HTR2AHTR2CHTR2B | |
| SCHEMBL11248897 | 0.85 | HRH1 (0.56) | SETD7HTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL11244787 | 0.85 | HTR2A (0.43) | SETD7SIGMAR1HTR2AHTR2CHTR2B | |
| SCHEMBL7675241 | 0.83 | DRD4 (0.46) | SETD7SIGMAR1DRD2DRD4HRH4 | |
| SCHEMBL30089988 | 0.83 | DRD4 (0.46) | SETD7SIGMAR1DRD2DRD4HRH4 | |
| Bromide SCHEMBL11488069 | 0.83 | HTR2A (0.39) | SIGMAR1HTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL11242039 | 0.83 | HRH1 (0.42) | HTR2AHRH1 | |
| Hydrochloric Acid SCHEMBL7673355 | 0.82 | DRD4 (0.44) | SETD7SIGMAR1DRD2DRD4HRH4 |
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 4 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 |
| US-4198522-A | HYPOLIPIDEMIC ACND ANTI-ATHEROSCLEROTIC AGENTS | AMERICAN CYANAMID COMPANY (US) | 1980-04-15 | — | — | US | disclosed |