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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.43 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11255836 | 0.88 | DRD2 (0.45) | SMN1; SMN2KDM4EALDH1A1HTR1ADRD2 | |
| Bromide SCHEMBL11298922 | 0.82 | SIGMAR1 (0.53) | DRD2HTR2ASIGMAR1KMT2AMAPT | |
| Bromide SCHEMBL11428072 | 0.82 | HTR2A (0.42) | SMN1; SMN2ALDH1A1HTR1ADRD2HTR2A | |
| Bromide SCHEMBL11490261 | 0.81 | SMN1; SMN2 (0.44) | SMN1; SMN2KDM4EALDH1A1HTR1ADRD2 | |
| Bromide SCHEMBL11241487 | 0.78 | OPRM1 (0.46) | SMN1; SMN2KDM4EALDH1A1HTR1ADRD2 | |
| Bromide SCHEMBL11441059 | 0.77 | SIGMAR1 (0.41) | KDM4EALDH1A1DRD2HTR2AHRH1 | |
| Bromide SCHEMBL11252969 | 0.77 | OPRL1 (0.48) | DRD2HTR2AHRH1SIGMAR1 | |
| SCHEMBL11251599 | 0.76 | OPRM1 (0.47) | SMN1; SMN2KDM4EALDH1A1HTR1ADRD2 | |
| Bromide SCHEMBL11249107 | 0.76 | DRD2 (0.57) | HTR1ADRD2HTR2AHRH1DRD3 | |
| SCHEMBL11247140 | 0.75 | DRD2 (0.58) | HTR1ADRD2HTR2AHRH1DRD3 |
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-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 |
| 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 |