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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 2/20 | 0.50 |
| ▸ | HRH1 | P35367 | 2/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | TRAP1 | Q12931 | 2/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 7/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
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 SCHEMBL8782143 | 0.98 | HTR2A (0.52) | HTR2AHRH1SIGMAR1HIF1ATRAP1 | |
| Bromide SCHEMBL8909571 | 0.96 | HTR2A (0.53) | HTR2AHRH1SIGMAR1HIF1ATRAP1 | |
| Bromide SCHEMBL246032 | 0.93 | HTR2A (0.58) | HTR2AHRH1SIGMAR1HIF1ATRAP1 | |
| Hydrochloric Acid SCHEMBL9549516 | 0.93 | HTR2A (0.53) | HTR2AHRH1SIGMAR1HIF1ATRAP1 | |
| Bromide SCHEMBL28158895 | 0.91 | HTR2A (0.56) | HTR2AHRH1SIGMAR1HIF1ATRAP1 | |
| Bromide SCHEMBL190865 | 0.91 | HTR2A (0.60) | HTR2AHRH1SIGMAR1HIF1ATRAP1 | |
| Iodide SCHEMBL4110593 | 0.87 | HTR2A (0.60) | HTR2AHRH1SIGMAR1HIF1ACHRNA7 | |
| Hydrochloric Acid SCHEMBL8861752 | 0.87 | HTR2A (0.60) | HTR2AHRH1SIGMAR1HIF1ATRAP1 | |
| Phosphoric Acid SCHEMBL9549586 | 0.86 | HTR2A (0.47) | HTR2AHRH1SIGMAR1HIF1ATRAP1 | |
| Acetic Acid SCHEMBL9549692 | 0.83 | ALDH1A1 (0.46) | HTR2AHRH1SIGMAR1HIF1ATRAP1 |
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-0401798-B1 | Substituted aminoalkylbenzene derivatives | HOFFMANN LA ROCHE (CH) | 1995-01-11 | — | — | EP | disclosed |
| US-5137920-A | METHOD OF TREATING FUNGAL INFECTIONS | HOFFMANN-LA ROCHE INC. (US) | 1992-08-11 | — | — | US | disclosed |
| EP-0401798-A2 | Substituted aminoalkylbenzene derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1990-12-12 | — | — | EP | disclosed |