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 | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.36 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 4/20 | 0.37 |
| ▸ | HRH1 | P35367 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 3/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11253567 | 0.98 | L3MBTL1 (0.41) | L3MBTL1BACE1OPRM1ALDH1A1HPGD | |
| Bromide SCHEMBL11247249 | 0.86 | HPGD (0.46) | L3MBTL1BACE1OPRM1HPGDHTR2A | |
| SCHEMBL11245262 | 0.84 | HTR2A (0.53) | BACE1OPRM1HTR2AHRH1DRD2 | |
| SCHEMBL11243072 | 0.84 | HPGD (0.47) | L3MBTL1BACE1OPRM1HPGDHTR2A | |
| Hydrochloric Acid SCHEMBL11251464 | 0.83 | HTR2A (0.52) | BACE1OPRM1HTR2AHRH1DRD2 | |
| SCHEMBL7675884 | 0.82 | OPRM1 (0.50) | BACE1OPRM1HTR2ADRD2SLC6A2 | |
| Bromide SCHEMBL11241487 | 0.80 | OPRM1 (0.46) | L3MBTL1OPRM1ALDH1A1HPGDKDM4E | |
| SCHEMBL11251599 | 0.78 | OPRM1 (0.47) | L3MBTL1OPRM1ALDH1A1HPGDKDM4E | |
| SCHEMBL11250477 | 0.78 | OPRM1 (0.45) | BACE1OPRM1HTR2ADRD2SLC6A2 | |
| SCHEMBL30341605 | 0.75 | OPRM1 (0.54) | L3MBTL1BACE1OPRM1ALDH1A1HTR2A |
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 |