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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 2/20 | 0.52 |
| ▸ | HRH1 | P35367 | 2/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | TRAP1 | Q12931 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 7/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 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 SCHEMBL9147651 | 0.98 | HTR2A (0.50) | HTR2AHRH1HIF1ASIGMAR1TRAP1 | |
| Bromide SCHEMBL8909571 | 0.98 | HTR2A (0.53) | HTR2AHRH1HIF1ASIGMAR1TRAP1 | |
| Bromide SCHEMBL246032 | 0.94 | HTR2A (0.58) | HTR2AHRH1HIF1ASIGMAR1TRAP1 | |
| Hydrochloric Acid SCHEMBL9549516 | 0.94 | HTR2A (0.53) | HTR2AHRH1HIF1ASIGMAR1TRAP1 | |
| Bromide SCHEMBL28158895 | 0.93 | HTR2A (0.56) | HTR2AHRH1HIF1ASIGMAR1TRAP1 | |
| Bromide SCHEMBL190865 | 0.92 | HTR2A (0.60) | HTR2AHRH1HIF1ASIGMAR1TRAP1 | |
| Hydrochloric Acid SCHEMBL8861752 | 0.89 | HTR2A (0.60) | HTR2AHRH1HIF1ASIGMAR1TRAP1 | |
| Iodide SCHEMBL4110593 | 0.89 | HTR2A (0.60) | HTR2AHRH1HIF1ASIGMAR1ALDH1A1 | |
| Phosphoric Acid SCHEMBL9549586 | 0.88 | HTR2A (0.47) | HTR2AHRH1HIF1ASIGMAR1TRAP1 | |
| Acetic Acid SCHEMBL9549692 | 0.85 | ALDH1A1 (0.46) | HTR2AHRH1HIF1ASIGMAR1TRAP1 |
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-0235796-B2 | Dibenz [b,e] oxepin derivative and antiallergic and antiinflammatory agent | KYOWA HAKKO KOGYO KK (JP) | 1997-03-12 | — | — | EP | disclosed |
| US-5116863-A | Antiallergens, antiinflammatory agents; asthma | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1992-05-26 | — | — | US | disclosed |
| EP-0235796-A2 | Dibenz [b,e] oxepin derivative and antiallergic and antiinflammatory agent | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1987-09-09 | — | — | EP | disclosed |