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 | 2/20 | 0.58 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.41 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.41 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.46 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.43 |
| ▸ | MAOA | P21397 | 4/20 | 0.43 |
| ▸ | MAOB | P27338 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL451516 | 0.98 | TAAR1 (0.60) | TAAR1SLC6A2SMN1; SMN2CYP2A6HTR2A | |
| Water SCHEMBL2959270 | 0.95 | TAAR1 (0.58) | TAAR1SLC6A2SMN1; SMN2CYP2A6HTR2A | |
| Hydrochloric Acid SCHEMBL11164072 | 0.95 | TAAR1 (0.58) | TAAR1SLC6A2SMN1; SMN2CYP2A6HTR2A | |
| Bromide SCHEMBL11133528 | 0.87 | SLC6A2 (0.54) | TAAR1SLC6A2HTR2AAOC3MAOA | |
| Pivalate SCHEMBL5675687 | 0.86 | GRM2 (0.50) | TAAR1SLC6A2SMN1; SMN2ALDH1A1ALOX12 | |
| SCHEMBL21058265 | 0.85 | SLC6A2 (0.44) | TAAR1SLC6A2CYP2A6HTR2ACYP1A2 | |
| SCHEMBL21058273 | 0.85 | TAAR1 (0.48) | TAAR1SLC6A2MAOAMAOBLMNA | |
| SCHEMBL3797223 | 0.84 | TAAR1 (0.56) | TAAR1SLC6A2SMN1; SMN2CYP2A6HTR2A | |
| SCHEMBL21058237 | 0.84 | TAAR1 (0.54) | TAAR1SLC6A2SMN1; SMN2CYP2A6HTR2A | |
| SCHEMBL3802516 | 0.83 | MAOA (0.54) | TAAR1SLC6A2HTR2AAOC3MAOA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0046144-B1 | THERAPEUTICALLY ACTIVE DERIVATIVES OF PHENYLETHANOL AMINES | Aktiebolaget Draco (SE) | 1984-04-11 | — | — | EP | disclosed |
| US-4442300-A | BRONCHOSPASMOLYTIC | AKTIEBOLAGET DRACO (SE) | 1984-04-10 | — | — | US | disclosed |
| EP-0046144-A1 | Therapeutically active derivatives of phenylethanol amines | Aktiebolaget Draco (SE) | 1982-02-17 | — | — | EP | disclosed |
| US-4011258-A | ETHANOLAMINES | AKTIEBOLAGET DRACO (SW) | 1977-03-08 | — | — | US | disclosed |
| US-3937838-A | BRONCHODILATORS, DIHYDROXYPHENYL ETHANOLAMINES | AKTIEBOLAGET DRACO (SW) | 1976-02-10 | — | — | US | disclosed |